 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_wB97XD-def2SVPDr.in
 Output=05_alphapinene_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/05_alphapinene_STD/Gau-39901.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39902.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=05_alphapinene_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:42:09 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 17:42:10 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Fri Jul 23 17:42:10 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0204803040 Hartrees.
 Nuclear repulsion after empirical dispersion term =      568.6455418258 Hartrees.
 Leave Link  301 at Fri Jul 23 17:42:12 2021, MaxMem= 10737418240 cpu:              14.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.36D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 23 17:42:13 2021, MaxMem= 10737418240 cpu:               9.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:42:13 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:42:14 2021, MaxMem= 10737418240 cpu:               8.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737166926 LenY= 10737045381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.288074760827    
 DIIS: error= 3.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.288074760827     IErMin= 1 ErrMin= 3.15D-03
 ErrMax= 3.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.48D-03 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.17D-02 MaxDP=1.31D+00              OVMax= 1.20D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.04D-02    CP:  1.24D+00
 E= -390.295959746641     Delta-E=       -0.007884985814 Rises=F Damp=F
 DIIS: error= 3.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.295959746641     IErMin= 2 ErrMin= 3.54D-04
 ErrMax= 3.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-04 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.54D-03
 Coeff-Com: -0.528D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.526D-01 0.105D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.60D-03 MaxDP=1.89D-01 DE=-7.88D-03 OVMax= 4.88D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.00D-04    CP:  1.28D+00  1.12D+00
 E= -390.296207339445     Delta-E=       -0.000247592804 Rises=F Damp=F
 DIIS: error= 2.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.296207339445     IErMin= 3 ErrMin= 2.37D-04
 ErrMax= 2.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-05 BMatP= 1.44D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.37D-03
 Coeff-Com: -0.344D-01 0.357D+00 0.677D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.343D-01 0.356D+00 0.678D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=4.63D-03 DE=-2.48D-04 OVMax= 1.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.27D+00  1.12D+00  1.04D+00
 E= -390.296252358357     Delta-E=       -0.000045018912 Rises=F Damp=F
 DIIS: error= 8.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.296252358357     IErMin= 4 ErrMin= 8.33D-05
 ErrMax= 8.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-06 BMatP= 4.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.386D-02-0.148D-01 0.178D+00 0.841D+00
 Coeff:     -0.386D-02-0.148D-01 0.178D+00 0.841D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=6.71D-05 MaxDP=3.69D-03 DE=-4.50D-05 OVMax= 6.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.59D-05    CP:  1.28D+00  1.12D+00  1.08D+00  7.41D-01
 E= -390.296256530713     Delta-E=       -0.000004172355 Rises=F Damp=F
 DIIS: error= 1.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.296256530713     IErMin= 5 ErrMin= 1.92D-05
 ErrMax= 1.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-07 BMatP= 3.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-02-0.307D-01 0.770D-02 0.307D+00 0.715D+00
 Coeff:      0.102D-02-0.307D-01 0.770D-02 0.307D+00 0.715D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=4.67D-04 DE=-4.17D-06 OVMax= 2.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.53D-06    CP:  1.28D+00  1.12D+00  1.09D+00  8.15D-01  8.47D-01
 E= -390.296257044158     Delta-E=       -0.000000513445 Rises=F Damp=F
 DIIS: error= 5.17D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.296257044158     IErMin= 6 ErrMin= 5.17D-06
 ErrMax= 5.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-08 BMatP= 5.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.665D-03-0.106D-01-0.111D-01 0.551D-01 0.267D+00 0.699D+00
 Coeff:      0.665D-03-0.106D-01-0.111D-01 0.551D-01 0.267D+00 0.699D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=4.06D-06 MaxDP=4.57D-04 DE=-5.13D-07 OVMax= 7.20D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.56D-06    CP:  1.28D+00  1.12D+00  1.09D+00  8.18D-01  8.64D-01
                    CP:  1.03D+00
 E= -390.296257083547     Delta-E=       -0.000000039390 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.296257083547     IErMin= 7 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-09 BMatP= 3.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-03-0.142D-02-0.397D-02-0.580D-03 0.391D-01 0.208D+00
 Coeff-Com:  0.759D+00
 Coeff:      0.142D-03-0.142D-02-0.397D-02-0.580D-03 0.391D-01 0.208D+00
 Coeff:      0.759D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=1.33D-04 DE=-3.94D-08 OVMax= 2.24D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.40D-07    CP:  1.28D+00  1.12D+00  1.09D+00  8.16D-01  8.74D-01
                    CP:  1.07D+00  1.03D+00
 E= -390.296257085833     Delta-E=       -0.000000002286 Rises=F Damp=F
 DIIS: error= 7.26D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.296257085833     IErMin= 8 ErrMin= 7.26D-07
 ErrMax= 7.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-10 BMatP= 1.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.478D-04 0.114D-02 0.489D-04-0.933D-02-0.275D-01-0.273D-01
 Coeff-Com:  0.332D+00 0.731D+00
 Coeff:     -0.478D-04 0.114D-02 0.489D-04-0.933D-02-0.275D-01-0.273D-01
 Coeff:      0.332D+00 0.731D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.24D-07 MaxDP=3.13D-05 DE=-2.29D-09 OVMax= 9.31D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.69D-07    CP:  1.28D+00  1.12D+00  1.09D+00  8.15D-01  8.74D-01
                    CP:  1.09D+00  1.11D+00  1.05D+00
 E= -390.296257086362     Delta-E=       -0.000000000529 Rises=F Damp=F
 DIIS: error= 9.64D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.296257086362     IErMin= 9 ErrMin= 9.64D-08
 ErrMax= 9.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-11 BMatP= 4.58D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-04 0.359D-03 0.247D-03-0.220D-02-0.842D-02-0.199D-01
 Coeff-Com:  0.218D-01 0.153D+00 0.855D+00
 Coeff:     -0.201D-04 0.359D-03 0.247D-03-0.220D-02-0.842D-02-0.199D-01
 Coeff:      0.218D-01 0.153D+00 0.855D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.09D-07 MaxDP=3.78D-06 DE=-5.29D-10 OVMax= 1.63D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.88D-08    CP:  1.28D+00  1.12D+00  1.09D+00  8.15D-01  8.73D-01
                    CP:  1.10D+00  1.12D+00  1.12D+00  1.13D+00
 E= -390.296257086386     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 2.19D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.296257086386     IErMin=10 ErrMin= 2.19D-08
 ErrMax= 2.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.99D-13 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-05 0.495D-05 0.430D-04 0.103D-03 0.933D-04-0.228D-02
 Coeff-Com: -0.179D-01-0.189D-01 0.183D+00 0.856D+00
 Coeff:     -0.145D-05 0.495D-05 0.430D-04 0.103D-03 0.933D-04-0.228D-02
 Coeff:     -0.179D-01-0.189D-01 0.183D+00 0.856D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.38D-08 MaxDP=2.76D-06 DE=-2.39D-11 OVMax= 4.26D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.28D+00  1.12D+00  1.09D+00  8.15D-01  8.73D-01
                    CP:  1.10D+00  1.13D+00  1.13D+00  1.19D+00  1.07D+00
 E= -390.296257086392     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 9.14D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -390.296257086392     IErMin=11 ErrMin= 9.14D-09
 ErrMax= 9.14D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-13 BMatP= 8.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-05-0.313D-04-0.866D-05 0.240D-03 0.837D-03 0.123D-02
 Coeff-Com: -0.762D-02-0.210D-01-0.195D-01 0.299D+00 0.747D+00
 Coeff:      0.134D-05-0.313D-04-0.866D-05 0.240D-03 0.837D-03 0.123D-02
 Coeff:     -0.762D-02-0.210D-01-0.195D-01 0.299D+00 0.747D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.87D-09 MaxDP=7.64D-07 DE=-5.80D-12 OVMax= 1.18D-07

 SCF Done:  E(RwB97XD) =  -390.296257086     A.U. after   11 cycles
            NFock= 11  Conv=0.99D-08     -V/T= 2.0129
 KE= 3.853379988175D+02 PE=-2.038140786392D+03 EE= 6.938609886625D+02
 Leave Link  502 at Fri Jul 23 17:44:02 2021, MaxMem= 10737418240 cpu:            1708.0 elap:             107.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.47213678D+02

 Leave Link  801 at Fri Jul 23 17:44:02 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 3.61D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.77D-01 6.80D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 3.88D-02 7.08D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.97D-03 1.07D-02.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.39D-04 2.32D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 1.43D-05 6.48D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 6.72D-07 1.71D-04.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 1.79D-08 2.54D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 4.16D-10 2.95D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 7.97D-12 5.34D-07.
      7 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 1.23D-13 5.87D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.119927D+03
      2 -0.284720D+00  0.117534D+03
      3  0.456081D+00  0.473561D+01  0.105309D+03
 Isotropic polarizability for W=    0.093368      114.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.112389D+02 -0.378529D+02  0.679528D+00
      2   0.509475D+01  0.196690D+02  0.769431D+01
      3  -0.163337D+02  0.181838D+02 -0.837383D+01
      4  -0.377100D+02  0.352731D+02  0.266269D+02
      5   0.130617D+02  0.240294D+02 -0.186109D+02
      6   0.963864D+01  0.184526D+02  0.807646D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.294046D+00  0.272908D+01  0.487657D+01
      2   0.369573D+01  0.157176D+02 -0.331593D+01
      3   0.751894D+01 -0.236728D+02 -0.146136D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.259749D+01  0.107583D+02  0.173762D+02
      2  -0.123822D+02  0.169883D+02 -0.227720D+01
      3   0.142847D+00 -0.301783D+02 -0.143908D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.973638D-01 -0.180918D+01 -0.909000D+00
      2  -0.180918D+01 -0.320674D+01  0.269024D+01
      3  -0.909000D+00  0.269024D+01  0.411407D+01
 OR G Eigenvalues:    -4.5727    -0.0009     5.3835  Iso=    -0.2700
 Eigenvectors:
   (1)   0.318874   0.914291  -0.249783
   (2)   0.910991  -0.222928   0.346985
   (3)  -0.261561   0.338194   0.903997
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2700 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =     -111.70 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 2.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.23D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.38D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 4.60D-02 2.52D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 2.83D-03 7.00D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 4.11D-05 7.18D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 7.18D-07 1.25D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 8.01D-09 1.28D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 6.57D-11 8.61D-07.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 5.25D-13 7.19D-08.
     10 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 3.87D-15 5.66D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   250 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 2.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 2.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.119927D+03 -0.284720D+00  0.456081D+00
      2  -0.284720D+00  0.117534D+03  0.473561D+01
      3   0.456081D+00  0.473561D+01  0.105309D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.294046D+00  0.272908D+01  0.487657D+01
      2   0.369573D+01  0.157176D+02 -0.331593D+01
      3   0.751894D+01 -0.236728D+02 -0.146136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112389D+02 -0.378529D+02  0.679528D+00
      2   0.509475D+01  0.196690D+02  0.769431D+01
      3  -0.163337D+02  0.181838D+02 -0.837383D+01
      4  -0.377100D+02  0.352731D+02  0.266269D+02
      5   0.130617D+02  0.240294D+02 -0.186109D+02
      6   0.963864D+01  0.184526D+02  0.807646D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333760D+01  0.368022D+00 -0.137069D+01  0.176809D+01 -0.573006D+00
      2   0.368022D+00 -0.669180D+00 -0.252488D+01 -0.573006D+00  0.161108D+02
      3  -0.137069D+01 -0.252488D+01 -0.219325D+01 -0.172797D+01  0.322280D+01
                 6             7             8             9            10 
      1  -0.172797D+01 -0.923129D+00 -0.314360D+01 -0.183520D+01  0.953646D+00
      2   0.322280D+01 -0.314360D+01  0.191182D+01  0.402616D+01  0.761790D+00
      3   0.263370D+01 -0.183520D+01  0.402616D+01  0.570595D+01  0.499697D+00
                11            12            13            14            15 
      1   0.761790D+00  0.499697D+00  0.147885D+01  0.252853D+00  0.184026D+01
      2   0.892658D+00  0.318478D+01  0.252853D+00 -0.106448D+02  0.619754D+00
      3   0.318478D+01  0.269979D+01  0.184026D+01  0.619754D+00 -0.124080D+01
                16            17            18            19            20 
      1   0.861165D+00  0.297355D+01  0.282057D+01  0.198662D+01 -0.275661D+01
      2   0.297355D+01  0.230354D+01 -0.364586D+01 -0.275661D+01  0.138024D+01
      3   0.282057D+01 -0.364586D+01 -0.550014D+01 -0.507147D+00  0.108812D+01
                21            22            23            24            25 
      1  -0.507147D+00 -0.255332D+01  0.135377D+01  0.114434D+01 -0.100281D+01
      2   0.108812D+01  0.135377D+01 -0.160147D+02 -0.435821D+01  0.481453D+00
      3   0.729766D+00  0.114434D+01 -0.435821D+01 -0.368341D+01  0.136564D+01
                26            27            28            29            30 
      1   0.481453D+00  0.136564D+01 -0.432109D+01 -0.634752D+00 -0.116427D+01
      2  -0.422231D+01 -0.403466D+01 -0.634752D+00 -0.517333D+00 -0.261212D+01
      3  -0.403466D+01 -0.446581D+01 -0.116427D+01 -0.261212D+01 -0.248279D+01
                31            32            33            34            35 
      1  -0.205066D+01 -0.230192D+01 -0.248193D+01 -0.131614D+01 -0.268268D+01
      2  -0.230192D+01  0.940700D+01 -0.300957D+00 -0.268268D+01 -0.895097D+00
      3  -0.248193D+01 -0.300957D+00  0.159560D+01 -0.406015D+01  0.366750D+01
                36            37            38            39            40 
      1  -0.406015D+01  0.430585D+01  0.181604D+01 -0.244843D+01 -0.198654D+01
      2   0.366750D+01  0.181604D+01  0.855415D+00 -0.937642D+00  0.949067D-01
      3   0.456151D+01 -0.244843D+01 -0.937642D+00  0.317609D+01 -0.190135D+01
                41            42            43            44            45 
      1   0.949067D-01 -0.190135D+01 -0.531342D+01 -0.121479D+01  0.247814D+01
      2   0.391519D+01  0.377040D+01 -0.121479D+01  0.342509D+01  0.278938D+00
      3   0.377040D+01 -0.150683D+01  0.247814D+01  0.278938D+00  0.569283D+00
                46            47            48            49            50 
      1  -0.335550D+01  0.115046D+01  0.462725D+01  0.345944D+01 -0.142258D+01
      2   0.115046D+01 -0.117617D+01  0.670544D+00 -0.142258D+01 -0.709345D+01
      3   0.462725D+01  0.670544D+00 -0.159576D+01  0.965698D+00  0.162935D+01
                51            52            53            54            55 
      1   0.965698D+00  0.707594D+01  0.126241D+01 -0.151271D+01  0.217601D+01
      2   0.162935D+01  0.126241D+01  0.217552D+01  0.128143D+01 -0.352088D+01
      3   0.110396D+01 -0.151271D+01  0.128143D+01 -0.244915D+01 -0.142152D+01
                56            57            58            59            60 
      1  -0.352088D+01 -0.142152D+01 -0.335606D+01  0.434098D+01 -0.154687D+01
      2   0.403698D+01 -0.149722D+01  0.434098D+01  0.305440D+01 -0.248165D+01
      3  -0.149722D+01 -0.156768D+01 -0.154687D+01 -0.248165D+01  0.266297D+01
                61            62            63            64            65 
      1  -0.153303D+01 -0.172277D+01 -0.178862D+01  0.227162D+00 -0.875029D+00
      2  -0.172277D+01 -0.301781D+01  0.163923D+01 -0.875029D+00 -0.227346D+01
      3  -0.178862D+01  0.163923D+01  0.324323D+01  0.322794D+01  0.369319D+01
                66            67            68            69            70 
      1   0.322794D+01  0.369436D+00 -0.184895D+01  0.439260D+01  0.299935D+01
      2   0.369319D+01 -0.184895D+01  0.114059D+01 -0.118210D+01  0.282021D+01
      3   0.937294D+00  0.439260D+01 -0.118210D+01 -0.803319D+00  0.110192D+01
                71            72            73            74            75 
      1   0.282021D+01  0.110192D+01  0.761185D+01  0.253687D+01  0.319370D+01
      2  -0.653867D+00 -0.133112D+01  0.253687D+01  0.131764D+01  0.129152D+01
      3  -0.133112D+01 -0.808271D+00  0.319370D+01  0.129152D+01  0.231115D+01
                76            77            78            79            80 
      1   0.181830D+01  0.129152D+01  0.877241D+00  0.333345D+01  0.164333D+01
      2   0.129152D+01  0.202789D+01  0.147033D+01  0.164333D+01  0.206103D+01
      3   0.877241D+00  0.147033D+01  0.128469D+01  0.219097D+01  0.818406D+00
                81            82            83            84            85 
      1   0.219097D+01  0.825891D+00  0.138628D+01 -0.366365D+00  0.144992D+01
      2   0.818406D+00  0.138628D+01  0.200374D+01 -0.279498D+00  0.106550D+01
      3   0.132235D+01 -0.366365D+00 -0.279498D+00 -0.136004D+00 -0.310952D+00
                86            87            88            89            90 
      1   0.106550D+01 -0.310952D+00 -0.818946D+00 -0.687306D+00 -0.126685D+00
      2   0.129270D+02 -0.871983D+00 -0.687306D+00 -0.360690D+01  0.204192D+01
      3  -0.871983D+00  0.109207D+01 -0.126685D+00  0.204192D+01 -0.141019D+00
                91            92            93            94            95 
      1  -0.119831D+01  0.664809D+00  0.133573D+01  0.177486D+00 -0.607954D+00
      2   0.664809D+00 -0.822260D+00 -0.112644D+01 -0.607954D+00  0.351406D+01
      3   0.133573D+01 -0.112644D+01 -0.174051D+01 -0.466683D+00  0.194345D+01
                96            97            98            99           100 
      1  -0.466683D+00  0.160343D+01 -0.137385D+01 -0.162350D+01  0.851077D+01
      2   0.194345D+01 -0.137385D+01  0.352784D+01  0.418694D+01 -0.411002D-01
      3   0.163066D+01 -0.162350D+01  0.418694D+01  0.797493D+01  0.205078D+01
               101           102           103           104           105 
      1  -0.411002D-01  0.205078D+01  0.280765D+01  0.535192D+00  0.624027D+00
      2   0.846290D+00  0.106121D+00  0.535192D+00  0.347394D+00  0.463507D+00
      3   0.106121D+00  0.160714D+01  0.624027D+00  0.463507D+00  0.465461D+00
               106           107           108           109           110 
      1   0.367206D+01 -0.122614D+00  0.207774D+01  0.220448D+01 -0.846051D+00
      2  -0.122614D+00  0.826210D+00 -0.204590D+00 -0.846051D+00  0.410563D+00
      3   0.207774D+01 -0.204590D+00  0.111539D+01 -0.155649D+01  0.913308D+00
               111           112           113           114           115 
      1  -0.155649D+01 -0.703668D+00  0.160062D+01  0.983409D+00 -0.356823D+01
      2   0.913308D+00  0.160062D+01 -0.306638D+01 -0.149473D+01  0.277596D+01
      3   0.165971D+01  0.983409D+00 -0.149473D+01 -0.154142D+01  0.336724D+01
               116           117           118           119           120 
      1   0.277596D+01  0.336724D+01 -0.426591D+00 -0.392594D+00  0.487983D+00
      2  -0.320539D+01 -0.339693D+01 -0.392594D+00 -0.185763D+01  0.396913D+00
      3  -0.339693D+01 -0.702586D+01  0.487983D+00  0.396913D+00 -0.124994D+00
               121           122           123           124           125 
      1  -0.192530D+01  0.178992D+01  0.311019D+00  0.100791D+01 -0.155137D+00
      2   0.178992D+01 -0.100204D+02  0.164787D+01 -0.155137D+00  0.309703D+01
      3   0.311019D+00  0.164787D+01 -0.148645D+01  0.660546D+00 -0.219583D+01
               126           127           128           129           130 
      1   0.660546D+00  0.442519D+00 -0.104948D+01 -0.886277D-01 -0.166977D+01
      2  -0.219583D+01 -0.104948D+01 -0.211412D+00  0.132404D+00  0.713667D+00
      3   0.626057D+00 -0.886277D-01  0.132404D+00 -0.156403D+00  0.389238D+00
               131           132           133           134           135 
      1   0.713667D+00  0.389238D+00 -0.932711D-01  0.490977D+00  0.767552D-01
      2  -0.746373D+01 -0.315921D+01  0.490977D+00 -0.279648D+01 -0.207638D+01
      3  -0.315921D+01 -0.215333D+01  0.767552D-01 -0.207638D+01 -0.223660D+01
               136           137           138           139           140 
      1  -0.682434D+00 -0.230759D+01 -0.411753D+01 -0.299232D+01  0.953752D+00
      2  -0.230759D+01  0.543904D+00  0.179449D+00  0.953752D+00  0.636319D+01
      3  -0.411753D+01  0.179449D+00  0.116059D+01  0.302566D+00 -0.244416D+01
               141           142           143           144           145 
      1   0.302566D+00 -0.441746D+01  0.270079D-01  0.129325D+01  0.108017D+01
      2  -0.244416D+01  0.270079D-01 -0.150287D+01 -0.173369D+01 -0.290509D+01
      3  -0.187641D+01  0.129325D+01 -0.173369D+01  0.211664D+01 -0.371268D+01
               146           147           148           149           150 
      1  -0.290509D+01 -0.371268D+01 -0.419006D+01  0.126278D+01 -0.179669D+00
      2   0.158674D-01 -0.228797D+00  0.126278D+01  0.680341D+01 -0.101060D+01
      3  -0.228797D+00  0.141975D+01 -0.179669D+00 -0.101060D+01 -0.185859D+01
               151           152           153           154           155 
      1  -0.458954D+01 -0.117574D+00  0.206679D+01 -0.655720D+01  0.413816D+01
      2  -0.117574D+00 -0.124476D+01 -0.156585D+01  0.413816D+01 -0.393760D+01
      3   0.206679D+01 -0.156585D+01  0.441292D+01  0.709839D-01  0.287560D+00
               156           157           158           159           160 
      1   0.709839D-01  0.315882D+01 -0.332329D+01  0.355180D+00  0.268580D+00
      2   0.287560D+00 -0.332329D+01  0.421802D+01  0.989212D-01  0.276348D+00
      3  -0.717124D+00  0.355180D+00  0.989212D-01  0.488469D+00 -0.861602D+00
               161           162           163           164           165 
      1   0.276348D+00 -0.861602D+00 -0.388040D+01 -0.260399D+00 -0.313212D+01
      2   0.254781D+00  0.868084D+00 -0.260399D+00 -0.559943D+00 -0.251753D+00
      3   0.868084D+00 -0.253814D+00 -0.313212D+01 -0.251753D+00 -0.402581D+01
               166           167           168           169           170 
      1  -0.682616D+00 -0.558087D+00 -0.701730D+00 -0.260517D+01 -0.341763D+00
      2  -0.558087D+00 -0.394966D+00 -0.734481D+00 -0.341763D+00 -0.631912D+00
      3  -0.701730D+00 -0.734481D+00 -0.629450D+00 -0.312668D+01 -0.218989D-01
               171           172           173           174           175 
      1  -0.312668D+01  0.310055D+01  0.148842D+01 -0.253861D+01  0.123507D+01
      2  -0.218989D-01  0.148842D+01  0.185486D+01 -0.197818D+01  0.140226D+01
      3  -0.608223D+01 -0.253861D+01 -0.197818D+01  0.325843D+01 -0.154741D+01
               176           177           178           179           180 
      1   0.140226D+01 -0.154741D+01 -0.143270D+01 -0.948140D+00  0.150661D+01
      2   0.229751D+01 -0.185880D+01 -0.948140D+00 -0.114677D+01  0.175165D+01
      3  -0.185880D+01  0.253139D+01  0.150661D+01  0.175165D+01 -0.397777D+01
               181           182           183           184           185 
      1   0.501387D+01  0.713994D+00  0.123395D+01  0.144348D+01  0.347554D+00
      2   0.713994D+00  0.669843D+00 -0.448841D-01  0.347554D+00 -0.396315D+00
      3   0.123395D+01 -0.448841D-01  0.318220D+01  0.112091D-01  0.693302D+00
               186           187           188           189           190 
      1   0.112091D-01  0.124424D+01  0.353489D+00  0.181195D+01 -0.385605D+00
      2   0.693302D+00  0.353489D+00  0.877368D+00  0.323976D+00 -0.759595D+00
      3   0.127234D+01  0.181195D+01  0.323976D+00  0.190582D+01  0.875219D+00
               191           192           193           194           195 
      1  -0.759595D+00  0.875219D+00 -0.115885D+01 -0.101817D+01  0.389295D+00
      2  -0.368349D+00  0.100986D+00 -0.101817D+01 -0.814243D+01  0.314766D+01
      3   0.100986D+00 -0.465725D+00  0.389295D+00  0.314766D+01 -0.264675D+01
               196           197           198           199           200 
      1   0.407061D+00  0.730679D-01 -0.323874D+00 -0.460298D+01  0.829556D+00
      2   0.730679D-01  0.109260D+01 -0.117279D+01  0.829556D+00 -0.110215D+01
      3  -0.323874D+00 -0.117279D+01  0.928543D+00  0.348938D+01 -0.333632D+00
               201           202           203           204           205 
      1   0.348938D+01  0.188585D+01 -0.992001D+00 -0.119431D+01  0.244194D+01
      2  -0.333632D+00 -0.992001D+00  0.281280D+00  0.112378D+01 -0.429989D+00
      3  -0.394577D+01 -0.119431D+01  0.112378D+01  0.201980D+01 -0.259997D+01
               206           207           208           209           210 
      1  -0.429989D+00 -0.259997D+01 -0.885901D+00  0.546746D+00 -0.118650D+01
      2   0.787679D+00  0.694940D+00  0.546746D+00 -0.353104D-01 -0.319286D-01
      3   0.694940D+00  0.379164D+01 -0.118650D+01 -0.319286D-01 -0.143291D+01
               211           212           213           214           215 
      1   0.122041D+01 -0.241181D+00  0.137982D+00 -0.259018D+01 -0.517854D+00
      2  -0.241181D+00 -0.240271D+00 -0.722230D+00 -0.517854D+00 -0.114808D+01
      3   0.137982D+00 -0.722230D+00  0.805382D+00 -0.239373D+01  0.267565D+00
               216           217           218           219           220 
      1  -0.239373D+01 -0.806941D+01  0.700064D+00  0.212923D+01  0.331858D+01
      2   0.267565D+00  0.700064D+00 -0.100787D+01 -0.236752D+00 -0.122296D+01
      3  -0.660823D+01  0.212923D+01 -0.236752D+00 -0.151395D+01 -0.566142D+00
               221           222           223           224           225 
      1  -0.122296D+01 -0.566142D+00  0.439127D+01 -0.335154D-01 -0.199551D+01
      2   0.156809D+00  0.544533D+00 -0.335154D-01  0.929625D+00  0.398554D+00
      3   0.544533D+00  0.903369D+00 -0.199551D+01  0.398554D+00  0.136272D+01
               226           227           228           229           230 
      1  -0.736361D+00 -0.752045D+00  0.389128D+00 -0.232221D+01 -0.289517D+01
      2  -0.752045D+00 -0.289334D+00  0.388224D-01 -0.289517D+01 -0.908715D+01
      3   0.389128D+00  0.388224D-01 -0.432184D-01 -0.990664D-01  0.243454D+00
               231           232           233           234 
      1  -0.990664D-01  0.897652D+00  0.313762D+00 -0.569899D+00
      2   0.243454D+00  0.313762D+00  0.802116D+00 -0.865694D+00
      3  -0.106307D+01 -0.569899D+00 -0.865694D+00 -0.880831D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133930D+01  0.142082D+01  0.300918D+00  0.249062D+01  0.873630D+01
      2   0.315427D+01 -0.181324D+01 -0.318143D+01  0.828518D+00  0.942059D+01
      3  -0.265269D+01 -0.495155D+01  0.125773D+01  0.177869D+01 -0.433416D+02
                 6             7             8             9            10 
      1  -0.161488D+01  0.968114D+00  0.470135D+01  0.401945D+00 -0.913294D+00
      2   0.935651D+01 -0.978257D+01  0.147185D+02  0.159384D+02 -0.661269D+00
      3  -0.121207D+02  0.199807D+01 -0.896648D+01 -0.142492D+02  0.337648D+01
                11            12            13            14            15 
      1  -0.675241D+01 -0.371752D+01 -0.365185D+01 -0.154372D+02  0.503191D+00
      2   0.238699D+01  0.282854D+01 -0.641082D-01 -0.408217D+01 -0.188966D+01
      3  -0.457921D+01 -0.275508D+01  0.423877D+01  0.852858D+01  0.548388D+01
                16            17            18            19            20 
      1  -0.539926D+01  0.161315D+02  0.129662D+02 -0.128973D+01 -0.160682D+01
      2  -0.759650D+00 -0.272947D+01 -0.535671D+01 -0.553518D+00  0.538361D+01
      3  -0.115452D+01  0.881832D+01  0.106277D+02  0.101178D+02 -0.670778D+01
                21            22            23            24            25 
      1  -0.434563D+00 -0.213058D+01 -0.113172D+02 -0.238721D+01 -0.265567D+01
      2   0.169429D+01  0.405611D+01 -0.110392D+02 -0.105199D+02 -0.549522D+01
      3  -0.440917D+01  0.292046D+01  0.421329D+02  0.135085D+02 -0.268285D+01
                26            27            28            29            30 
      1   0.481196D+01  0.269920D+01 -0.146177D+01 -0.530092D+01 -0.419429D+01
      2  -0.108196D+02 -0.160331D+02 -0.496850D+01 -0.852187D+01 -0.549484D+01
      3   0.129270D+02  0.114590D+02  0.102516D+02 -0.175156D+01  0.967664D+01
                31            32            33            34            35 
      1  -0.287390D+01 -0.571125D+01  0.166026D+01 -0.929753D+01  0.126097D+02
      2  -0.776460D+01 -0.266610D+01  0.364350D+01 -0.153880D+02  0.128805D+02
      3   0.125910D+02 -0.277609D+02  0.514791D+01  0.100268D+02  0.998836D+01
                36            37            38            39            40 
      1   0.886300D+01 -0.579043D+00  0.349881D+00  0.442834D+01 -0.411911D+01
      2   0.140284D+02  0.787637D+01  0.308404D+01  0.338520D+01 -0.290024D+01
      3  -0.404499D+01 -0.131830D+02 -0.817639D+01 -0.893727D+00  0.775651D+01
                41            42            43            44            45 
      1   0.111158D+01 -0.108366D+02  0.717461D+01  0.519625D+00  0.450552D+01
      2   0.263287D+01 -0.446603D+01 -0.893870D+01 -0.400857D+01  0.431488D+01
      3   0.148538D+01  0.276269D+01  0.452605D+01 -0.861307D-01 -0.637437D+01
                46            47            48            49            50 
      1   0.404775D+01 -0.721347D-01 -0.206062D+01 -0.787494D+00 -0.128474D+01
      2  -0.124614D+02 -0.313640D+01  0.650733D+01  0.651011D+00 -0.154909D+01
      3   0.111396D+02 -0.453542D+01 -0.147620D+01 -0.238479D+01 -0.141985D+02
                51            52            53            54            55 
      1  -0.226034D+01 -0.216048D+01  0.677066D+01 -0.282380D+01  0.259429D+01
      2  -0.990370D+00 -0.914168D+00 -0.299483D+01  0.619106D+01  0.256367D+01
      3   0.244283D+01 -0.680706D+01  0.168959D+01  0.472776D+01 -0.360755D+01
                56            57            58            59            60 
      1   0.224588D+01  0.607504D+01  0.290636D+01  0.370873D+01 -0.657164D+01
      2   0.187027D+01  0.451612D+01  0.154498D+01  0.233622D+01 -0.328059D+01
      3  -0.567012D+01 -0.354104D+01  0.353059D+01  0.116611D+02 -0.495687D+01
                61            62            63            64            65 
      1   0.453898D+01  0.443919D+00 -0.826686D+01 -0.217291D+01  0.291602D+01
      2  -0.209678D+01 -0.254604D+01 -0.496703D+01 -0.138493D+01 -0.419451D+01
      3  -0.507781D+01 -0.607015D+01 -0.121652D+01  0.230054D+01 -0.430138D+01
                66            67            68            69            70 
      1  -0.120396D+02  0.585104D+01 -0.169218D+01  0.688011D+01 -0.101201D+02
      2   0.961615D+01 -0.114015D+01 -0.422500D+01  0.135732D+02  0.282418D+01
      3   0.622855D+01 -0.156767D+01 -0.189622D+01 -0.134055D+01  0.471881D+01
                71            72            73            74            75 
      1   0.752425D+01  0.268767D+01 -0.182446D+01  0.336539D+00 -0.288150D+01
      2   0.852775D+01  0.409957D+01 -0.567535D+00  0.107093D+01  0.564113D+01
      3   0.627473D+00  0.105045D+01  0.507357D+01 -0.195020D+01  0.134798D+01
                76            77            78            79            80 
      1  -0.229331D+00 -0.674082D+00 -0.103755D+01 -0.185301D+01  0.265877D+01
      2  -0.168403D+00  0.284418D+01  0.277874D+01  0.519010D+00 -0.149402D+01
      3   0.119926D+01 -0.229695D+01 -0.159301D+01  0.111602D+01 -0.410020D+01
                81            82            83            84            85 
      1  -0.121087D+01  0.169591D+01  0.247617D+01 -0.334780D-02  0.538146D+00
      2   0.103612D+01 -0.707555D+00 -0.418330D+00  0.134628D+01 -0.116395D+01
      3   0.141772D+01  0.208299D+01  0.121857D+01 -0.717640D+00  0.682040D+01
                86            87            88            89            90 
      1   0.120286D+02 -0.609680D+01  0.546106D+00 -0.701622D+01  0.251290D+01
      2   0.109259D+01  0.828679D+00 -0.547381D+00  0.833171D+00  0.286015D+00
      3  -0.512716D+01 -0.504000D+00 -0.275461D+01 -0.216641D+00 -0.184105D+01
                91            92            93            94            95 
      1  -0.296934D+01  0.160909D+01  0.382090D+01  0.418969D+00 -0.383671D+00
      2   0.209874D+01 -0.109964D+01 -0.936483D+00 -0.728179D+00  0.207241D+01
      3  -0.423363D+01  0.476845D+00  0.392880D+01  0.194445D+01 -0.383415D+01
                96            97            98            99           100 
      1  -0.261983D+01  0.304078D+01 -0.401780D+01 -0.166867D+02  0.356618D+01
      2   0.744409D+00 -0.529110D+01  0.285065D+01  0.419607D+01  0.719395D+01
      3  -0.248263D+01  0.736732D+01 -0.592011D+01 -0.676156D+01 -0.121948D+02
               101           102           103           104           105 
      1   0.864559D+00  0.249725D+01  0.752625D+00  0.115532D+01 -0.141165D+00
      2   0.295225D+00  0.763481D+01  0.181129D+01  0.144312D+01  0.209664D+01
      3  -0.527576D+01 -0.370311D+01 -0.326241D+01 -0.274871D+01 -0.231017D+01
               106           107           108           109           110 
      1   0.273695D+01  0.718688D+00  0.129016D+01 -0.240072D+01  0.150069D+01
      2   0.473899D+01  0.294116D-01  0.445614D+01 -0.305124D+01  0.228993D+01
      3  -0.501429D+01 -0.359812D+01 -0.212656D+01 -0.671204D+00 -0.196901D+01
               111           112           113           114           115 
      1   0.308598D+01  0.162434D+01 -0.859088D+00 -0.325938D+01  0.539883D+01
      2   0.512826D+01  0.243884D+01 -0.384866D+01 -0.448546D+01  0.595785D+01
      3  -0.105775D+01 -0.222409D+01  0.716472D+01  0.284406D+01 -0.174710D+01
               116           117           118           119           120 
      1  -0.359735D+01 -0.117104D+02  0.592652D+00  0.181153D+01 -0.461781D+00
      2  -0.848960D+01 -0.200579D+02  0.131745D+01  0.205274D+01  0.393602D+00
      3   0.564583D+01  0.494716D+01  0.238054D+01  0.527325D+01 -0.230224D+01
               121           122           123           124           125 
      1  -0.498366D+00  0.544846D+01 -0.532151D+01  0.129813D+01 -0.406260D+01
      2   0.128247D+01  0.463989D+01 -0.438756D+01  0.440778D+00 -0.545985D+01
      3   0.377126D+00  0.275890D+02 -0.563884D+01 -0.217220D+01 -0.961378D+01
               126           127           128           129           130 
      1   0.190488D+01  0.116635D+01 -0.350792D+00 -0.160046D+00 -0.503725D+00
      2   0.208658D+01  0.936066D+00 -0.100630D+01  0.915912D+00 -0.281972D+01
      3   0.532854D+01 -0.628859D+00 -0.168980D-01 -0.121944D+00  0.549317D+01
               131           132           133           134           135 
      1   0.555619D+01 -0.233784D+01 -0.214277D+00  0.300446D+01 -0.969854D+00
      2   0.648907D+00  0.892293D-01 -0.220371D+01  0.426391D-01 -0.622067D+00
      3   0.572202D+00 -0.286990D-01  0.879706D+00  0.429927D+00  0.207364D+00
               136           137           138           139           140 
      1  -0.106846D+02  0.748413D+00  0.191335D+01  0.310673D+01  0.128863D+02
      2   0.105493D+02  0.452231D+01  0.103954D+02  0.578286D+01  0.909638D+00
      3  -0.346470D+01  0.285392D+00  0.476500D+01  0.635383D+01  0.824077D+01
               141           142           143           144           145 
      1  -0.113890D+02  0.843747D+00 -0.373308D+01 -0.259592D+01 -0.254116D+01
      2   0.147883D+01  0.573872D+01  0.312554D+01 -0.407818D+01  0.111264D+02
      3  -0.378306D+01  0.418046D+01 -0.238212D+01 -0.358858D+01 -0.129152D+02
               146           147           148           149           150 
      1   0.178318D+00  0.238811D+01 -0.584179D+00 -0.339798D+01 -0.385068D+01
      2  -0.120211D+01 -0.486550D+01 -0.273935D+01  0.264750D+01  0.540185D+01
      3   0.255914D+01  0.382533D+01  0.117222D+02  0.206792D+02 -0.248862D+01
               151           152           153           154           155 
      1   0.393377D+01  0.560345D+00  0.732258D+01 -0.117139D+01  0.537278D+00
      2  -0.132506D+02  0.391715D+01 -0.153805D+02 -0.122595D+01  0.727053D+00
      3   0.500739D+01 -0.291039D+01 -0.751756D+01 -0.731045D+01 -0.144933D+01
               156           157           158           159           160 
      1   0.270192D+01  0.397679D+00 -0.150140D+01 -0.312530D+01  0.130598D+01
      2   0.344824D+01  0.353975D+00 -0.983749D+00 -0.212145D+01 -0.899659D-02
      3   0.293613D+00  0.376445D+01  0.873426D+00  0.627995D+00  0.561892D+00
               161           162           163           164           165 
      1  -0.349629D+00  0.398462D+00  0.320992D+01  0.370885D+01  0.412316D+01
      2  -0.826179D+00  0.139208D+00 -0.970957D+01 -0.120140D+01 -0.340930D+01
      3   0.115583D+01 -0.381864D+00 -0.301314D+01 -0.260135D+01 -0.232220D+01
               166           167           168           169           170 
      1   0.165356D+01  0.175561D+01  0.504128D+00  0.364207D+01  0.340492D+01
      2  -0.190481D+01 -0.597281D+00 -0.164958D+01 -0.699781D+01 -0.157279D+01
      3   0.669023D+00 -0.561072D-01 -0.613169D+00 -0.165768D+01 -0.183969D+01
               171           172           173           174           175 
      1   0.343293D+01 -0.145545D+01 -0.437645D+01  0.495351D+00 -0.244199D+01
      2  -0.256752D+01  0.915176D+01  0.343708D+01 -0.398227D+01  0.416158D+01
      3  -0.149318D+01  0.437149D+01  0.463860D+00 -0.243334D+01  0.384019D+01
               176           177           178           179           180 
      1  -0.366518D+01 -0.226346D+00  0.948421D+00  0.261937D+01 -0.556055D+00
      2   0.342192D+01 -0.379591D+01 -0.517280D+01 -0.297552D+01  0.369802D+01
      3   0.870450D+00 -0.188140D+01 -0.247770D+01 -0.278114D+00  0.207760D+01
               181           182           183           184           185 
      1   0.538664D+01  0.304974D+01  0.140783D+01  0.244219D+01  0.706799D+00
      2  -0.190216D+02 -0.316085D+01 -0.235120D+01 -0.546973D+01 -0.162188D+01
      3  -0.253211D+01 -0.132901D+01 -0.135032D+01  0.860711D+00 -0.240836D+00
               186           187           188           189           190 
      1   0.115188D+01  0.241579D+01  0.340465D+01  0.212923D+01 -0.346095D+00
      2  -0.402980D+00 -0.544248D+01 -0.176490D+01 -0.564218D+01 -0.632233D+00
      3   0.773086D-01 -0.114683D+01 -0.852948D+00 -0.187331D+00 -0.667591D+00
               191           192           193           194           195 
      1  -0.754830D+00 -0.564942D+00 -0.166553D+01 -0.153243D+02  0.618820D+00
      2   0.103603D+01 -0.271903D+00  0.291133D+01 -0.210655D+01  0.278604D+01
      3  -0.638563D+00 -0.519635D+00  0.303967D+01 -0.944670D+01  0.362380D+01
               196           197           198           199           200 
      1  -0.386925D-01  0.298197D+01 -0.160606D+01  0.521647D+01 -0.436616D+01
      2  -0.145717D+01  0.855216D+00 -0.478752D+00  0.604159D+01 -0.182394D+01
      3  -0.468290D+00  0.131549D+01 -0.107351D+01  0.420435D+01 -0.415471D+01
               201           202           203           204           205 
      1  -0.399403D+01 -0.282173D+01  0.236042D+01  0.290046D+01 -0.341937D+01
      2   0.324529D+00 -0.290798D+01  0.204949D-01 -0.131488D+01 -0.452878D+01
      3  -0.332610D+01 -0.154467D+01  0.185855D+01  0.236974D+01 -0.248270D+01
               206           207           208           209           210 
      1   0.380753D+01  0.475981D+01 -0.199122D+01  0.112899D+00 -0.120247D+01
      2   0.110209D+00 -0.822525D-01  0.323479D+01  0.938265D+00  0.372337D+01
      3   0.222137D+01  0.321241D+01  0.228559D+01 -0.111655D+01  0.102200D+01
               211           212           213           214           215 
      1  -0.138317D+00 -0.939460D+00  0.100223D+01 -0.133838D+01  0.401027D+01
      2   0.157863D+01  0.230227D+01 -0.335862D+01  0.127645D+01 -0.256696D+01
      3  -0.535342D+00  0.177459D+00 -0.215090D+01  0.862226D+00 -0.398244D+01
               216           217           218           219           220 
      1  -0.827234D+01  0.220094D+01 -0.594820D+00 -0.142140D+01 -0.422971D+00
      2   0.199922D+02 -0.883088D+01  0.120596D+01  0.839805D+01  0.260404D+01
      3   0.386990D+01  0.113816D+02 -0.629960D+01 -0.329466D+01 -0.536688D+01
               221           222           223           224           225 
      1   0.793327D+00 -0.227919D+00 -0.195777D+01  0.114795D+01  0.786834D+00
      2  -0.211498D+01 -0.380495D+01  0.591883D+01 -0.129160D+01 -0.555430D+01
      3   0.258196D+01  0.225501D+01 -0.470457D+01  0.416793D+01  0.356120D+01
               226           227           228           229           230 
      1   0.784790D+00  0.308665D+00 -0.102027D+00  0.456292D+00  0.357535D+01
      2  -0.123768D+01 -0.357098D+00  0.125492D+01 -0.234405D+00 -0.159796D+01
      3  -0.174890D+01 -0.157205D+01 -0.487658D+00 -0.204220D+01 -0.236111D+02
               231           232           233           234 
      1  -0.457642D+01 -0.480084D+00 -0.285813D+00  0.403726D+00
      2   0.369027D+01  0.888655D+00  0.179241D+01  0.127779D+00
      3   0.978974D+00 -0.896566D+00  0.183023D+01 -0.163054D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145868D+02  0.375709D+01 -0.153099D+01  0.498242D+01 -0.267208D+02
      2   0.960665D+01 -0.759714D+00  0.206198D+01  0.162302D+01  0.324992D+02
      3   0.498014D+01 -0.299738D+01 -0.530996D+00 -0.660544D+01 -0.577843D+01
      4  -0.538068D+01  0.863653D+00 -0.116047D+02 -0.270663D+01  0.517950D+02
      5  -0.159932D+02 -0.752556D+01 -0.564145D+01 -0.106801D+02  0.561718D+01
      6  -0.536846D+01 -0.761904D+01 -0.523010D+01 -0.430174D+01  0.772554D+01
                 6             7             8             9            10 
      1  -0.117082D+02 -0.377276D+01 -0.146516D+02 -0.187195D+02  0.133153D+01
      2   0.949796D+01  0.211155D+01  0.173077D+01  0.249762D+01  0.290165D+01
      3   0.221027D+01  0.166121D+01  0.129208D+02  0.162219D+02 -0.423319D+01
      4   0.526166D+01 -0.198352D+02  0.135555D+01  0.125583D+02 -0.167092D+01
      5   0.512098D+01 -0.388841D+01  0.836381D+01  0.988313D+01  0.199090D+01
      6   0.732963D+01 -0.305889D+01  0.114939D+02  0.595709D+01  0.227159D+01
                11            12            13            14            15 
      1  -0.410911D+01 -0.979745D+01  0.153322D+01  0.373363D+02  0.212676D+01
      2  -0.402449D+01  0.956412D+01 -0.570075D+01 -0.556638D+02  0.656496D+01
      3   0.813360D+01  0.233325D+00  0.416753D+01  0.183274D+02 -0.869171D+01
      4   0.454306D+01  0.457887D+01  0.740767D+01 -0.180228D+02  0.448191D+01
      5   0.187792D+01 -0.878728D+00  0.296568D+01  0.410392D+00  0.232730D+01
      6   0.146571D+02  0.122789D+02  0.668575D+01  0.497427D+01 -0.583994D+01
                16            17            18            19            20 
      1  -0.986717D+01 -0.734850D+00  0.196552D+02  0.135181D+02 -0.114962D+01
      2   0.644294D+01  0.213808D+02 -0.644607D+01 -0.114734D+02 -0.171095D+01
      3   0.342424D+01 -0.206459D+02 -0.132091D+02 -0.204472D+01  0.286057D+01
      4   0.444520D+01  0.888860D+01  0.374617D+01 -0.451576D+01  0.580396D+01
      5   0.264809D+00  0.496454D+01  0.573220D+01  0.171270D+00  0.770920D+01
      6   0.119156D+02 -0.182337D+02 -0.248217D+02 -0.293250D+01 -0.541572D+01
                21            22            23            24            25 
      1   0.356906D+01  0.110080D+01  0.119409D+02  0.103982D+02 -0.228811D+01
      2  -0.277483D+01 -0.218835D+01 -0.831133D+01 -0.151497D+01 -0.430247D+00
      3  -0.794236D+00  0.108754D+01 -0.362958D+01 -0.888325D+01  0.271836D+01
      4   0.491369D+01  0.103890D+01 -0.536339D+02 -0.157131D+02 -0.148287D+01
      5   0.539531D+01  0.349410D+01 -0.111255D+02 -0.964283D+01  0.119562D+02
      6  -0.172426D+00 -0.157914D+01 -0.840751D+01 -0.141769D+01 -0.854789D+00
                26            27            28            29            30 
      1   0.100363D+02  0.107596D+02 -0.315080D+02 -0.256038D+01 -0.151209D+02
      2  -0.988573D+01 -0.122831D+02  0.243586D+02 -0.539422D+01  0.972126D+01
      3  -0.150555D+00  0.152346D+01  0.714939D+01  0.795460D+01  0.539969D+01
      4  -0.155786D+02 -0.136427D+02 -0.388835D+01  0.261881D+01 -0.975309D+01
      5  -0.113568D+02 -0.144005D+02 -0.110956D+02 -0.135191D+02 -0.152645D+02
      6   0.322813D+01 -0.558444D+01  0.214266D+01  0.773519D+01  0.624352D+01
                31            32            33            34            35 
      1  -0.147610D+02  0.117477D+02 -0.158490D+02 -0.176593D+02 -0.202527D+02
      2   0.629224D+01 -0.236444D+02  0.151583D+02  0.733838D+01  0.237324D+02
      3   0.846878D+01  0.118967D+02  0.690670D+00  0.103209D+02 -0.347970D+01
      4  -0.280717D+01  0.361881D+02  0.190291D+01 -0.119587D+02  0.366887D+00
      5  -0.128982D+02 -0.404858D+01  0.938251D+01 -0.251767D+02  0.232263D+02
      6   0.260095D+01  0.114522D+02 -0.719618D+01  0.117259D+02 -0.160362D+02
                36            37            38            39            40 
      1  -0.132642D+02 -0.109723D+02 -0.378531D+01  0.127651D+01 -0.111254D+02
      2   0.978824D+01  0.789056D+01  0.323110D+01 -0.209052D+01  0.498327D+00
      3   0.347594D+01  0.308173D+01  0.554216D+00  0.814009D+00  0.106271D+02
      4   0.204761D+02  0.499175D+01  0.242951D+01  0.490317D+01  0.127447D+01
      5   0.290498D+02  0.393990D+01  0.177797D+00  0.401198D+00 -0.738361D+00
      6  -0.157982D+02  0.688927D+01  0.603728D+00  0.253388D+01 -0.405197D+00
                41            42            43            44            45 
      1   0.187383D+02  0.358339D+01  0.746633D+01  0.102855D+02  0.103198D+01
      2  -0.106160D+02 -0.898477D+01 -0.204935D+01 -0.123755D+02  0.384186D+01
      3  -0.812233D+01  0.540138D+01 -0.541699D+01  0.209002D+01 -0.487385D+01
      4  -0.595631D+01 -0.136305D+01  0.846685D+01 -0.297746D+00  0.152663D+01
      5   0.127057D+01  0.463452D+01 -0.387532D+01  0.130158D+01 -0.528972D+00
      6  -0.114751D+02 -0.165001D+02 -0.661462D+00 -0.991554D+01  0.367433D+01
                46            47            48            49            50 
      1  -0.198964D+00 -0.730097D+01 -0.126582D+02 -0.947202D+01 -0.281352D+01
      2  -0.590707D+01  0.153725D+01  0.945263D+01  0.734258D+01  0.184414D+01
      3   0.610604D+01  0.576372D+01  0.320561D+01  0.212944D+01  0.969382D+00
      4  -0.127731D+02  0.207462D+01 -0.862312D+01  0.422206D+01  0.166209D+02
      5  -0.149101D+02 -0.448135D+01  0.615733D+01  0.399957D+00 -0.557984D+01
      6  -0.909956D+01 -0.891286D-01  0.188403D+01 -0.367506D+00 -0.339129D+01
                51            52            53            54            55 
      1  -0.529795D+01 -0.175068D+02 -0.780970D+01  0.897115D+01 -0.805558D+01
      2  -0.111513D+01  0.961248D+01  0.365637D+01 -0.430304D+01 -0.519896D+01
      3   0.641308D+01  0.789435D+01  0.415333D+01 -0.466810D+01  0.132545D+02
      4  -0.733057D+01 -0.787436D+01 -0.746529D+01  0.230616D+01  0.193572D+02
      5  -0.376532D+01  0.846898D+01 -0.670191D+00  0.442715D+01  0.735969D-01
      6   0.591038D+01  0.510816D+01 -0.332901D+00  0.243828D+01  0.123180D+01
                56            57            58            59            60 
      1   0.642856D+01  0.317239D+01  0.386576D+01 -0.123721D+02  0.320915D+01
      2   0.519201D+01 -0.976338D+01  0.359140D+01  0.965072D+01 -0.157137D+01
      3  -0.116206D+02  0.659099D+01 -0.745716D+01  0.272139D+01 -0.163778D+01
      4  -0.222831D+02  0.173756D+01 -0.196718D+02  0.551364D+01  0.301190D+01
      5   0.195576D+01  0.624956D+00 -0.988321D+00  0.222608D+01  0.364807D+00
      6  -0.914371D+01 -0.537561D+01 -0.563761D+01  0.274754D+01  0.117814D+00
                61            62            63            64            65 
      1   0.107308D+01  0.605545D+01  0.180510D+01  0.707420D+01  0.800913D+01
      2  -0.590991D+01 -0.761681D+01  0.771805D+01  0.622124D+01  0.161114D+01
      3   0.483684D+01  0.156136D+01 -0.952315D+01 -0.132954D+02 -0.962027D+01
      4   0.393958D+01  0.387349D+01 -0.790374D+01 -0.418089D+01 -0.888084D-01
      5   0.294730D+01 -0.243204D+01 -0.147503D+01 -0.333087D+01  0.314144D+01
      6  -0.556454D+01  0.519294D+01  0.629379D+01  0.628648D+01  0.134829D+02
                66            67            68            69            70 
      1  -0.288045D+01  0.114727D+02 -0.306992D+01 -0.152031D+01  0.517666D+00
      2   0.142135D+02  0.419886D+01 -0.221231D+01 -0.224423D+01  0.107477D+02
      3  -0.113331D+02 -0.156716D+02  0.528222D+01  0.376453D+01 -0.112653D+02
      4   0.220231D+01  0.268470D+01 -0.291197D+01  0.841094D+01 -0.256607D+01
      5  -0.171171D+02  0.168734D+01  0.566856D+01 -0.132274D+02 -0.128105D+02
      6  -0.102218D+02  0.126695D+02 -0.534417D+01  0.553352D+01 -0.471133D+01
                71            72            73            74            75 
      1  -0.612957D+01 -0.505125D+01  0.337159D+02  0.935857D+01  0.101647D+02
      2   0.396249D+01 -0.198573D+01 -0.186198D+02 -0.420459D+01 -0.886595D+01
      3   0.216709D+01  0.703697D+01 -0.150961D+02 -0.515398D+01 -0.129871D+01
      4   0.466365D+01 -0.249234D+00  0.263329D+02  0.145886D+02  0.114361D+02
      5  -0.606583D+01 -0.462451D+01  0.227931D+02  0.894758D+01  0.163648D+02
      6   0.708329D-01  0.718225D+00  0.768097D+01  0.508435D+01  0.579205D+01
                76            77            78            79            80 
      1   0.467034D+01  0.389973D+00 -0.532513D+00  0.112419D+02  0.317188D+01
      2  -0.706884D+00  0.240767D+01  0.468052D+00 -0.800351D+01  0.941543D+00
      3  -0.396346D+01 -0.279764D+01  0.644608D-01 -0.323839D+01 -0.411342D+01
      4   0.125345D+02  0.118493D+02  0.834517D+01  0.134047D+02  0.127021D+02
      5   0.590804D+01  0.755968D+01  0.629280D+01  0.147694D+02  0.529090D+01
      6   0.462792D+01  0.639004D+01  0.549625D+01  0.591296D+01  0.474875D+01
                81            82            83            84            85 
      1   0.547154D+01 -0.132301D+01 -0.453917D+01  0.439955D+00 -0.183070D+01
      2  -0.548758D+01  0.669588D+01  0.116382D+02 -0.635530D+00  0.710122D+01
      3   0.160382D-01 -0.537287D+01 -0.709907D+01  0.195575D+00 -0.527052D+01
      4   0.790954D+01  0.565658D+01  0.132446D+02 -0.162337D+01  0.811879D+01
      5   0.104969D+02 -0.237214D+00  0.283300D+00  0.205105D+01 -0.156027D+00
      6   0.496913D+01 -0.164911D+01 -0.111312D+01 -0.773352D-01 -0.537188D+00
                86            87            88            89            90 
      1  -0.438270D+02  0.226204D+01  0.133357D+01  0.117015D+02 -0.733896D+01
      2   0.789637D+02 -0.621100D+01 -0.218577D+01 -0.233575D+02  0.813005D+01
      3  -0.351367D+02  0.394895D+01  0.852202D+00  0.116560D+02 -0.791088D+00
      4   0.193584D+02 -0.199311D+01 -0.332074D+01 -0.575617D+01  0.215392D+01
      5   0.397936D-01  0.681633D+00  0.143367D+01  0.868565D+00 -0.142649D+01
      6  -0.526501D+01  0.842894D+01 -0.496664D+00  0.136931D+02 -0.255197D+01
                91            92            93            94            95 
      1  -0.208942D+01  0.345060D+01  0.516925D+01  0.140203D+01 -0.137182D+02
      2  -0.148512D+01 -0.200787D+01 -0.203264D+01 -0.145008D+01  0.147272D+02
      3   0.357454D+01 -0.144273D+01 -0.313661D+01  0.480425D-01 -0.100906D+01
      4  -0.328323D+01  0.459562D+01  0.469152D+01  0.133037D+01  0.102565D+01
      5  -0.297376D+01  0.320835D+01  0.648877D+01  0.811162D+00 -0.787725D+00
      6   0.579324D+01 -0.642870D+01 -0.801865D+01 -0.314267D+01  0.110277D+02
                96            97            98            99           100 
      1  -0.805965D+01  0.674000D+01 -0.171025D+02 -0.262475D+02  0.663474D+02
      2   0.598449D+01 -0.152583D+01  0.766724D+01  0.149964D+01 -0.369408D+02
      3   0.207516D+01 -0.521416D+01  0.943525D+01  0.247479D+02 -0.294066D+02
      4  -0.123822D+01  0.366870D+01 -0.181250D+01 -0.199172D+01 -0.966024D+01
      5  -0.946325D+00  0.556961D+01 -0.271456D+01 -0.391936D+01  0.163482D+02
      6   0.125625D+02 -0.736530D+01  0.254017D+02  0.372304D+02 -0.515426D+01
               101           102           103           104           105 
      1   0.213808D+01  0.151267D+02  0.194993D+02  0.379362D+01  0.459984D+01
      2  -0.287458D+01 -0.931677D+01 -0.115995D+02 -0.113928D+01 -0.414696D+01
      3   0.736493D+00 -0.580997D+01 -0.789975D+01 -0.265435D+01 -0.452885D+00
      4   0.812662D+01 -0.197466D+01  0.456883D+01  0.334848D+01  0.261946D+01
      5   0.293879D+00  0.140612D+02  0.467231D+01  0.318438D+01  0.385918D+01
      6   0.286710D-01 -0.458228D+01 -0.557447D+00 -0.824922D+00  0.709142D+00
               106           107           108           109           110 
      1   0.252891D+02  0.102273D+01  0.113521D+02  0.139460D+02 -0.488271D+01
      2  -0.155956D+02 -0.308544D+01 -0.933538D+01 -0.982543D+01  0.311653D+01
      3  -0.969349D+01  0.206271D+01 -0.201668D+01 -0.412061D+01  0.176617D+01
      4  -0.458277D+01  0.517288D+01 -0.273144D+01 -0.860050D+01  0.590526D+01
      5   0.169932D+02 -0.928971D+00  0.965843D+01 -0.118359D+02  0.728917D+01
      6  -0.429160D+01  0.240771D+01 -0.175232D+01  0.499381D+01 -0.354029D+01
               111           112           113           114           115 
      1  -0.755275D+01 -0.162539D+01 -0.561675D+00  0.133432D+01 -0.154173D+02
      2   0.527862D+01 -0.511712D+00  0.473487D+01  0.210960D+00  0.114206D+02
      3   0.227413D+01  0.213711D+01 -0.417319D+01 -0.154528D+01  0.399677D+01
      4   0.798967D+01  0.102932D+02 -0.160964D+02 -0.944678D+01  0.191778D+02
      5   0.146341D+02  0.626864D+01 -0.858135D+01 -0.935952D+01  0.256327D+02
      6  -0.534408D+01 -0.412844D+01  0.515892D+01  0.944602D+01 -0.111181D+02
               116           117           118           119           120 
      1   0.617995D+01  0.402947D+01 -0.119892D+01 -0.843279D+01  0.385989D+01
      2  -0.424377D+01 -0.132763D+02  0.179604D+01  0.102612D+02 -0.225071D+01
      3  -0.193618D+01  0.924681D+01 -0.597113D+00 -0.182838D+01 -0.160918D+01
      4  -0.194999D+02 -0.195725D+02  0.237336D+00 -0.201191D+01 -0.615334D-01
      5  -0.213198D+02 -0.433853D+02  0.186868D+01  0.143690D+01  0.123589D+01
      6   0.157954D+02  0.234031D+02 -0.188765D+01 -0.280151D+01  0.131489D+01
               121           122           123           124           125 
      1  -0.762421D+01 -0.203381D+02  0.713386D+01  0.541125D+01  0.970760D+01
      2   0.701936D+00  0.423163D+02 -0.923076D+01 -0.121867D+01 -0.151178D+02
      3   0.692227D+01 -0.219783D+02  0.209691D+01 -0.419258D+01  0.541021D+01
      4   0.141896D+02 -0.427955D+02  0.664534D+01 -0.371074D+01  0.131660D+02
      5   0.227702D+00  0.960607D+01 -0.843151D+01  0.596446D+01 -0.119646D+02
      6   0.186247D+01 -0.149494D+02  0.963885D+01 -0.302159D+01  0.139655D+02
               126           127           128           129           130 
      1  -0.344418D+01  0.315248D+00 -0.690419D+00 -0.163781D+00  0.577132D+00
      2   0.396783D+01  0.200160D+01  0.366769D+00  0.325260D+00 -0.144281D+01
      3  -0.523652D+00 -0.231685D+01  0.323650D+00 -0.161479D+00  0.865682D+00
      4  -0.934435D+01 -0.621052D+00  0.716284D+01  0.198089D+01  0.684011D+01
      5   0.216930D+01 -0.898093D+00  0.322130D+01  0.340301D+01  0.330165D+01
      6  -0.543683D+01  0.374628D+01 -0.350633D+00  0.707790D+00 -0.290946D+01
               131           132           133           134           135 
      1  -0.209740D+02 -0.100029D+02  0.347527D+00 -0.865259D+01 -0.968204D+01
      2   0.253504D+02  0.749284D+01  0.300755D+00  0.637897D+01  0.192601D+01
      3  -0.437641D+01  0.251002D+01 -0.648282D+00  0.227362D+01  0.775603D+01
      4  -0.162513D+01 -0.125800D+01  0.190099D+01 -0.123501D+01  0.203115D+00
      5  -0.200556D+01 -0.110195D+01  0.283570D+01 -0.841866D+00 -0.186386D+01
      6   0.239888D+02  0.157288D+02 -0.945013D+00  0.145538D+02  0.108717D+02
               136           137           138           139           140 
      1   0.529886D+01  0.622339D+01  0.102321D+02  0.867112D+01  0.121060D+02
      2   0.147062D+02 -0.469466D+01 -0.982585D+01 -0.907174D+01 -0.167024D+02
      3  -0.200051D+02 -0.152873D+01 -0.406236D+00  0.400620D+00  0.459641D+01
      4   0.902960D+01  0.277164D+01  0.193169D+01  0.474415D+00 -0.140146D+02
      5   0.116794D+02 -0.736275D+01 -0.194104D+02 -0.108088D+02  0.549636D+01
      6  -0.522527D+01  0.264065D+01  0.309895D+01  0.479454D+01  0.252082D+02
               141           142           143           144           145 
      1  -0.170571D+01  0.983233D+01  0.157682D+01 -0.143975D+02 -0.131104D+02
      2   0.148211D+02 -0.841288D+01  0.876753D+01  0.131875D+01  0.117119D+02
      3  -0.131154D+02 -0.141944D+01 -0.103444D+02  0.130788D+02  0.139852D+01
      4   0.617574D+01  0.322732D+01  0.437685D+01  0.170197D+01  0.203152D+02
      5   0.772385D+01 -0.184583D+02  0.443805D+01  0.263849D+01  0.231866D+02
      6  -0.825559D+01  0.128877D+01 -0.280883D+01 -0.112143D+02  0.677523D+01
               146           147           148           149           150 
      1   0.170640D+02  0.219808D+02  0.267920D+02  0.112573D+02 -0.310491D+01
      2  -0.994814D+01 -0.101679D+02 -0.195910D+02 -0.251601D+02  0.324016D+01
      3  -0.711590D+01 -0.118129D+02 -0.720098D+01  0.139028D+02 -0.135248D+00
      4   0.308081D+01  0.353080D+01 -0.323371D+01 -0.307051D+02  0.615457D+01
      5   0.135566D+01 -0.853416D+01 -0.902371D+00  0.563124D+01  0.933932D+01
      6   0.875547D+00 -0.176920D+01  0.428678D+00 -0.543062D+00  0.293163D+01
               151           152           153           154           155 
      1   0.273271D+02 -0.215573D+01 -0.116364D+02  0.207712D+02 -0.770612D+01
      2  -0.110831D+02  0.316317D+01  0.138193D+02  0.911625D-01 -0.777551D+01
      3  -0.162440D+02 -0.100744D+01 -0.218294D+01 -0.208624D+02  0.154816D+02
      4   0.281525D+01  0.665911D+01  0.568437D+01 -0.317918D+02  0.272151D+02
      5  -0.136276D+02  0.715106D+01 -0.224789D+02  0.270702D+01 -0.242473D+01
      6  -0.334590D+01  0.365747D+01 -0.687456D+01 -0.310327D+01  0.333930D+01
               156           157           158           159           160 
      1  -0.627842D+00 -0.391301D+01 -0.218150D+00  0.133580D-01 -0.658121D+00
      2   0.968010D+00 -0.852405D+01  0.161211D+02  0.820529D+00  0.632855D+00
      3  -0.340168D+00  0.124371D+02 -0.159029D+02 -0.833887D+00  0.252663D-01
      4  -0.927148D+00  0.222444D+02 -0.242215D+02  0.158418D+00 -0.276150D+00
      5   0.543412D+01 -0.175677D+01  0.127562D+01 -0.224564D+01  0.543231D+01
      6  -0.318830D+01  0.253242D+01 -0.297533D+01  0.472123D+01 -0.355644D+01
               161           162           163           164           165 
      1  -0.392279D-01  0.936004D-01  0.254595D+01  0.980187D+00 -0.462290D+01
      2   0.145411D+01  0.414232D+00 -0.128533D+02 -0.195779D+01 -0.144418D+02
      3  -0.141488D+01 -0.507833D+00  0.103074D+02  0.977606D+00  0.190647D+02
      4  -0.398686D+00 -0.460697D+01 -0.150384D+01  0.335571D+01 -0.206865D+01
      5  -0.366119D+01  0.304262D+00  0.182188D+02  0.598306D+00  0.190314D+02
      6   0.567775D+01 -0.209869D+01 -0.356590D+01  0.266553D+01 -0.393310D+01
               166           167           168           169           170 
      1  -0.126962D+01 -0.915111D+00 -0.132927D+01 -0.232432D+01  0.875439D+00
      2  -0.227327D+01 -0.219938D+01 -0.311675D+01 -0.115284D+02 -0.129761D+01
      3   0.354289D+01  0.311449D+01  0.444602D+01  0.138527D+02  0.422167D+00
      4   0.253276D+01  0.291387D+00  0.154951D+01 -0.117103D+01  0.204952D+01
      5   0.166599D+01  0.322086D+01  0.291712D+01  0.162082D+02  0.158568D+01
      6   0.186373D+01  0.115622D+01  0.503771D+01 -0.164203D+01  0.506308D+01
               171           172           173           174           175 
      1  -0.127544D+02 -0.237540D+01 -0.589944D+01  0.865167D+01 -0.437699D+01
      2  -0.198526D+02 -0.335783D+01  0.118871D+01  0.350294D+01  0.517098D+00
      3   0.326070D+02  0.573323D+01  0.471073D+01 -0.121546D+02  0.385989D+01
      4  -0.190999D+01  0.616445D+01  0.520635D+01 -0.542012D+01  0.475941D+01
      5   0.207538D+02 -0.128576D+02 -0.633761D+01  0.133753D+02 -0.599937D+01
      6  -0.570028D+01 -0.901748D+01 -0.111375D+02  0.126264D+02 -0.827721D+01
               176           177           178           179           180 
      1  -0.844484D+01  0.902966D+01  0.409047D+01  0.664135D+01 -0.117994D+02
      2   0.629650D+01  0.537995D-01  0.174259D+01  0.268641D+00 -0.625925D+01
      3   0.214833D+01 -0.908346D+01 -0.583306D+01 -0.690999D+01  0.180586D+02
      4   0.396130D+01 -0.376321D+01 -0.249950D+01 -0.277611D+01  0.313543D+01
      5  -0.570177D+01  0.638560D+01  0.921090D+01  0.448669D+01 -0.835564D+01
      6  -0.124988D+02  0.133720D+02  0.641575D+01  0.970025D+01 -0.140855D+02
               181           182           183           184           185 
      1  -0.301907D+01 -0.510579D+00 -0.119587D+02 -0.181634D+01 -0.301154D+01
      2  -0.517938D+01 -0.110937D+01 -0.512664D+01  0.204875D+00  0.102199D+01
      3   0.819845D+01  0.161995D+01  0.170854D+02  0.161146D+01  0.198955D+01
      4  -0.811404D+01 -0.552520D+00 -0.187004D+01 -0.814070D+00  0.271761D+00
      5   0.122155D+02  0.203690D+01  0.606569D+01  0.403994D+01  0.581124D+00
      6   0.172975D+01  0.371453D+01 -0.274163D+01  0.194337D+01 -0.908489D+00
               186           187           188           189           190 
      1  -0.324570D+01 -0.782936D+01 -0.111058D+01 -0.650418D+01 -0.883377D+00
      2  -0.336465D+01 -0.290590D+01 -0.114527D+01 -0.682625D+01  0.608321D+00
      3   0.661035D+01  0.107353D+02  0.225585D+01  0.133304D+02  0.275057D+00
      4  -0.575280D+00 -0.142758D+01  0.151198D+00 -0.337253D+01  0.229924D+01
      5  -0.955678D+00  0.832448D+01  0.703175D+00  0.519763D+01 -0.295007D+01
      6   0.280649D+01 -0.106597D+00  0.401759D+01  0.875503D+00 -0.287162D+01
               191           192           193           194           195 
      1   0.145106D+01 -0.114255D+01  0.523132D+00 -0.206082D+02  0.113139D+02
      2  -0.501978D-01  0.154842D+01  0.165323D+01  0.293859D+02 -0.572382D+01
      3  -0.140086D+01 -0.405865D+00 -0.217636D+01 -0.877764D+01 -0.559009D+01
      4   0.628978D+01 -0.218866D+01  0.852105D+01  0.174091D+02 -0.634391D+01
      5  -0.291376D+01  0.515083D+01 -0.482941D+01 -0.603852D+01  0.540993D+01
      6  -0.178988D+01  0.627998D+00 -0.421150D+01 -0.342374D+02  0.190387D+02
               196           197           198           199           200 
      1  -0.433636D+00  0.494467D+01 -0.441135D+01  0.139993D+02 -0.281297D+01
      2   0.125586D+01 -0.112797D+01  0.120211D+01 -0.193697D+02  0.347737D+01
      3  -0.822225D+00 -0.381670D+01  0.320923D+01  0.537044D+01 -0.664406D+00
      4  -0.745975D+00 -0.216606D+01  0.258762D+01 -0.956315D+00  0.491457D+01
      5   0.368784D+01  0.203787D+01 -0.271255D+01 -0.274502D+02  0.444989D+01
      6   0.857249D+00  0.104117D+02 -0.660797D+01  0.319638D+01 -0.606860D+01
               201           202           203           204           205 
      1  -0.300192D+01 -0.482170D+01 -0.100859D+00 -0.270991D+00 -0.277053D+01
      2   0.163274D+02  0.676740D+01 -0.101811D+01 -0.823309D+01  0.119792D+02
      3  -0.133255D+02 -0.194570D+01  0.111896D+01  0.850408D+01 -0.920869D+01
      4  -0.100445D-01  0.425034D+01 -0.256407D+01 -0.415184D+01 -0.429717D+00
      5   0.254862D+02  0.105537D+02 -0.636247D+01 -0.103391D+02  0.191868D+02
      6  -0.799827D+00 -0.524238D+01  0.214860D+01  0.614208D+01 -0.180166D+01
               206           207           208           209           210 
      1   0.536595D-01 -0.198138D+01  0.647120D+01 -0.255972D+01  0.524611D+01
      2  -0.389302D+01 -0.161517D+02 -0.680153D+01  0.139738D+01 -0.557616D+01
      3   0.383936D+01  0.181330D+02  0.330334D+00  0.116235D+01  0.330049D+00
      4  -0.281797D+01 -0.118442D+01 -0.139881D+01  0.100049D+01  0.952838D+00
      5  -0.404744D+01 -0.213146D+02  0.696269D+01 -0.580876D+00  0.124120D+02
      6   0.534428D+01  0.225399D+01  0.873396D+00  0.400537D+00  0.191434D+01
               211           212           213           214           215 
      1  -0.709407D+01 -0.123583D+01 -0.626616D+00  0.119158D+02  0.978196D+00
      2   0.455771D+01  0.142692D+01  0.193116D+01 -0.970590D+01  0.166714D+01
      3   0.253636D+01 -0.191093D+00 -0.130454D+01 -0.220987D+01 -0.264533D+01
      4   0.196067D+01  0.100697D+01  0.374350D+01  0.435446D+01  0.690550D+01
      5  -0.196467D+01  0.314802D+01 -0.453360D+01  0.190883D+02 -0.652643D+00
      6   0.589737D+00 -0.194445D+00  0.251668D+01  0.460064D+01  0.407180D+01
               216           217           218           219           220 
      1   0.324368D+01  0.595973D+02 -0.679905D+01 -0.148821D+02 -0.216537D+02
      2  -0.164322D+02 -0.321840D+02  0.494212D+01  0.837526D+01  0.124935D+02
      3   0.131885D+02 -0.274133D+02  0.185693D+01  0.650682D+01  0.916018D+01
      4   0.217387D+00 -0.645620D+00  0.834942D+01  0.500064D+00  0.894188D+01
      5   0.364333D+02 -0.151414D+02  0.157332D+01  0.126503D+02  0.454288D+01
      6   0.104267D+02 -0.323363D+01  0.184963D+00  0.269313D+01  0.300113D-02
               221           222           223           224           225 
      1   0.532307D+01  0.398757D+01 -0.277696D+02  0.156017D+01  0.111384D+02
      2  -0.511176D+00 -0.282997D+01  0.154187D+02 -0.211993D+01 -0.923193D+01
      3  -0.481190D+01 -0.115760D+01  0.123509D+02  0.559760D+00 -0.190642D+01
      4  -0.277362D+01 -0.377205D+01 -0.108436D+01 -0.644470D+01 -0.168014D+01
      5  -0.356249D+01 -0.613939D+01  0.157743D+02 -0.239194D+01 -0.105033D+02
      6   0.429187D+00  0.359994D+00  0.243958D+01  0.667290D+00 -0.114717D+01
               226           227           228           229           230 
      1   0.429113D+01  0.449803D+01 -0.234044D+01  0.648405D+01 -0.120592D+02
      2   0.655509D+00 -0.125790D+01  0.122518D+01  0.513712D+01  0.371432D+02
      3  -0.494664D+01 -0.324013D+01  0.111525D+01 -0.116212D+02 -0.250840D+02
      4   0.431616D+01  0.832901D+01 -0.488471D+00  0.209718D+02  0.463961D+02
      5  -0.202561D+01  0.324676D+00  0.173184D+01  0.118339D+01 -0.114215D+01
      6  -0.502157D+00  0.848280D-01 -0.261529D+00  0.115151D+01  0.334332D+01
               231           232           233           234 
      1   0.110454D+01 -0.459305D+01  0.690729D+00 -0.525393D+00
      2  -0.164269D+01  0.124742D+01 -0.266177D+01  0.154138D+01
      3   0.538141D+00  0.334563D+01  0.197104D+01 -0.101599D+01
      4  -0.105580D+01 -0.243513D+01 -0.408255D+01  0.398304D+01
      5   0.624872D+01  0.401427D+01  0.434478D+01  0.700822D+00
      6   0.668997D+01  0.199260D+01  0.569811D+01 -0.702722D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:07:12 2021, MaxMem= 10737418240 cpu:           22204.6 elap:            1389.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30504 -10.29644 -10.29628 -10.29373 -10.29175
 Alpha  occ. eigenvalues --  -10.28926 -10.28718 -10.28130 -10.27932 -10.27496
 Alpha  occ. eigenvalues --   -0.97868  -0.87964  -0.84196  -0.82392  -0.77056
 Alpha  occ. eigenvalues --   -0.76064  -0.70057  -0.68462  -0.63674  -0.58386
 Alpha  occ. eigenvalues --   -0.56027  -0.53921  -0.52958  -0.51566  -0.50484
 Alpha  occ. eigenvalues --   -0.49212  -0.48907  -0.47648  -0.46617  -0.45210
 Alpha  occ. eigenvalues --   -0.44954  -0.43676  -0.43077  -0.40582  -0.37470
 Alpha  occ. eigenvalues --   -0.37404  -0.35600  -0.30296
 Alpha virt. eigenvalues --    0.08304   0.08717   0.10359   0.10884   0.11260
 Alpha virt. eigenvalues --    0.13447   0.13679   0.13820   0.15093   0.15604
 Alpha virt. eigenvalues --    0.16406   0.17366   0.18197   0.18435   0.19491
 Alpha virt. eigenvalues --    0.20032   0.20435   0.21033   0.21949   0.22693
 Alpha virt. eigenvalues --    0.22823   0.22955   0.24149   0.24670   0.25832
 Alpha virt. eigenvalues --    0.26108   0.27148   0.28064   0.28672   0.28979
 Alpha virt. eigenvalues --    0.30076   0.30771   0.31078   0.31667   0.32787
 Alpha virt. eigenvalues --    0.32892   0.33997   0.34271   0.34670   0.35501
 Alpha virt. eigenvalues --    0.36390   0.36719   0.36929   0.37711   0.38607
 Alpha virt. eigenvalues --    0.39301   0.39510   0.39706   0.40772   0.41028
 Alpha virt. eigenvalues --    0.41604   0.42064   0.42185   0.42330   0.42846
 Alpha virt. eigenvalues --    0.43127   0.43329   0.44089   0.44357   0.44644
 Alpha virt. eigenvalues --    0.45431   0.45533   0.45936   0.46137   0.46509
 Alpha virt. eigenvalues --    0.47590   0.48261   0.48344   0.48569   0.49572
 Alpha virt. eigenvalues --    0.50080   0.50436   0.51260   0.51948   0.52453
 Alpha virt. eigenvalues --    0.52675   0.53276   0.53377   0.54218   0.54363
 Alpha virt. eigenvalues --    0.55037   0.56218   0.56665   0.57066   0.57549
 Alpha virt. eigenvalues --    0.58113   0.58561   0.58684   0.59100   0.59971
 Alpha virt. eigenvalues --    0.60223   0.60767   0.61243   0.61791   0.61983
 Alpha virt. eigenvalues --    0.62403   0.63122   0.63212   0.64115   0.64929
 Alpha virt. eigenvalues --    0.65709   0.66003   0.66433   0.66795   0.67953
 Alpha virt. eigenvalues --    0.67996   0.68803   0.70036   0.70514   0.70726
 Alpha virt. eigenvalues --    0.71588   0.72026   0.73400   0.74094   0.74869
 Alpha virt. eigenvalues --    0.75319   0.75477   0.77363   0.77765   0.78408
 Alpha virt. eigenvalues --    0.79567   0.80413   0.81037   0.82512   0.83576
 Alpha virt. eigenvalues --    0.84111   0.84583   0.87002   0.87124   0.88967
 Alpha virt. eigenvalues --    0.89393   0.90063   0.90594   0.91757   0.93864
 Alpha virt. eigenvalues --    0.95101   0.99410   1.01648   1.03160   1.03644
 Alpha virt. eigenvalues --    1.05421   1.06121   1.06904   1.07599   1.07640
 Alpha virt. eigenvalues --    1.08944   1.09161   1.10030   1.11429   1.12025
 Alpha virt. eigenvalues --    1.13027   1.13300   1.14328   1.16056   1.16977
 Alpha virt. eigenvalues --    1.18381   1.19312   1.20704   1.21451   1.22202
 Alpha virt. eigenvalues --    1.24130   1.26897   1.27862   1.28658   1.28844
 Alpha virt. eigenvalues --    1.30708   1.32797   1.35502   1.36653   1.36833
 Alpha virt. eigenvalues --    1.38925   1.41899   1.42443   1.43598   1.44665
 Alpha virt. eigenvalues --    1.46430   1.46780   1.48370   1.49665   1.50361
 Alpha virt. eigenvalues --    1.52604   1.53286   1.55608   1.56139   1.58825
 Alpha virt. eigenvalues --    1.60069   1.61495   1.65413   1.67803   1.69503
 Alpha virt. eigenvalues --    1.70619   1.73035   1.75334   1.76231   1.77618
 Alpha virt. eigenvalues --    1.78754   1.80497   1.81332   1.84382   1.85216
 Alpha virt. eigenvalues --    1.85532   1.86462   1.88342   1.89583   1.93580
 Alpha virt. eigenvalues --    1.94637   1.95115   1.95759   1.98351   1.99071
 Alpha virt. eigenvalues --    2.01569   2.03653   2.05095   2.05514   2.05932
 Alpha virt. eigenvalues --    2.08820   2.10142   2.11697   2.11957   2.12400
 Alpha virt. eigenvalues --    2.14009   2.15200   2.15472   2.16661   2.19141
 Alpha virt. eigenvalues --    2.20043   2.21922   2.23188   2.24031   2.25532
 Alpha virt. eigenvalues --    2.26825   2.27445   2.29150   2.29515   2.31450
 Alpha virt. eigenvalues --    2.33853   2.35849   2.36795   2.37710   2.38341
 Alpha virt. eigenvalues --    2.41638   2.42356   2.43873   2.45662   2.46627
 Alpha virt. eigenvalues --    2.48442   2.49656   2.51688   2.53360   2.56069
 Alpha virt. eigenvalues --    2.57586   2.59823   2.61802   2.63296   2.66030
 Alpha virt. eigenvalues --    2.66653   2.67545   2.70842   2.72633   2.73630
 Alpha virt. eigenvalues --    2.74335   2.75798   2.77458   2.78897   2.79660
 Alpha virt. eigenvalues --    2.81951   2.84092   2.88304   2.89857   2.91277
 Alpha virt. eigenvalues --    2.98425   3.02894   3.06822   3.08632   3.09362
 Alpha virt. eigenvalues --    3.11100   3.15858   3.17541   3.18870   3.21048
 Alpha virt. eigenvalues --    3.22544   3.23805   3.26411   3.28400   3.29176
 Alpha virt. eigenvalues --    3.30646   3.33458   3.35830   3.39469   3.50388
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.090463   0.199662   0.182858  -0.317764  -0.340031  -0.133895
     2  C    0.199662   4.847081   0.070356  -0.004788  -0.051834   0.056412
     3  C    0.182858   0.070356   8.038407  -0.339304   0.163596  -0.256800
     4  C   -0.317764  -0.004788  -0.339304   5.706690  -0.442392   0.112087
     5  C   -0.340031  -0.051834   0.163596  -0.442392   7.766910  -1.439415
     6  C   -0.133895   0.056412  -0.256800   0.112087  -1.439415  14.947660
     7  C    0.300399   0.209799  -0.232706   0.026870   0.631277  -1.442062
     8  C   -0.176381  -0.067743  -0.225204   0.048053  -0.261244   0.139362
     9  H   -0.462802  -0.323765  -0.066165   0.003585   0.067715  -0.001388
    10  H    0.048355   0.131052   0.011500  -0.004416   0.028277   0.042781
    11  H   -0.019446   0.339259   0.024510   0.000071  -0.002211   0.039981
    12  H   -0.062444   0.001991   0.102314   0.203616   0.041506   0.001250
    13  H    0.048009  -0.002386   0.180960   0.090666  -0.007944   0.000503
    14  H    0.015628  -0.000170   0.148666   0.206232  -0.057722  -0.002338
    15  H   -0.015057   0.004500  -0.433003  -0.204769   0.047668  -0.771028
    16  C   -0.008557  -0.151969  -0.171798  -0.018467   0.183019  -2.252220
    17  C    0.012009   0.043751   0.060589   0.000080  -0.141012  -0.114408
    18  H   -0.051086  -0.501604   0.084305  -0.003984  -0.012359  -0.706372
    19  H    0.050040   0.069029   0.058750   0.004636   0.007905  -0.007148
    20  H   -0.074318  -0.099728  -0.120171   0.002019  -0.087299   0.155996
    21  H   -0.013134   0.020615  -0.062555   0.005100  -0.066595   0.028076
    22  H   -0.003246   0.001891   0.015367  -0.001503   0.009239   0.222952
    23  H    0.005745  -0.006055   0.007002  -0.002034   0.014390   0.191518
    24  H   -0.001238  -0.000031   0.000161  -0.000373  -0.044272   0.403283
    25  H    0.000212  -0.001394  -0.002513  -0.000024   0.013647   0.152028
    26  H    0.000857  -0.000527   0.000055  -0.000387   0.016694   0.161388
               7          8          9         10         11         12
     1  C    0.300399  -0.176381  -0.462802   0.048355  -0.019446  -0.062444
     2  C    0.209799  -0.067743  -0.323765   0.131052   0.339259   0.001991
     3  C   -0.232706  -0.225204  -0.066165   0.011500   0.024510   0.102314
     4  C    0.026870   0.048053   0.003585  -0.004416   0.000071   0.203616
     5  C    0.631277  -0.261244   0.067715   0.028277  -0.002211   0.041506
     6  C   -1.442062   0.139362  -0.001388   0.042781   0.039981   0.001250
     7  C    6.864171  -0.146299  -0.028708   0.069701  -0.072218   0.000240
     8  C   -0.146299   5.176215   0.020819  -0.052869   0.009964   0.001610
     9  H   -0.028708   0.020819   2.165610  -0.065053  -0.044404   0.020414
    10  H    0.069701  -0.052869  -0.065053   0.866304  -0.070189  -0.000334
    11  H   -0.072218   0.009964  -0.044404  -0.070189   0.838839  -0.000067
    12  H    0.000240   0.001610   0.020414  -0.000334  -0.000067   0.615215
    13  H    0.000778  -0.000256  -0.016208   0.000358   0.000021  -0.054617
    14  H    0.001012  -0.000225  -0.017454   0.000254   0.000335  -0.067859
    15  H   -0.022453  -0.028926   0.020508  -0.002930  -0.004318   0.005586
    16  C    0.178754   0.090427   0.026541  -0.011498  -0.052599   0.001633
    17  C   -0.131556  -0.046056  -0.000589   0.000467   0.003676  -0.000012
    18  H    0.089166   0.005407   0.027761  -0.074433  -0.114598   0.000010
    19  H   -0.004836   0.001301  -0.002496   0.005449   0.002052  -0.000242
    20  H   -0.051629   0.230487   0.017144  -0.014140  -0.005381   0.000300
    21  H   -0.045226   0.023526   0.006530  -0.006377  -0.008867  -0.000333
    22  H    0.010575  -0.007332  -0.003030   0.000431   0.000788  -0.000440
    23  H    0.034666  -0.012667  -0.001736   0.002187  -0.001873  -0.000014
    24  H   -0.081887  -0.017321  -0.000008   0.000487   0.000139   0.000003
    25  H    0.015113  -0.002148   0.000016  -0.000935  -0.000770  -0.000004
    26  H    0.030064  -0.003685   0.000027  -0.000153  -0.000265  -0.000007
              13         14         15         16         17         18
     1  C    0.048009   0.015628  -0.015057  -0.008557   0.012009  -0.051086
     2  C   -0.002386  -0.000170   0.004500  -0.151969   0.043751  -0.501604
     3  C    0.180960   0.148666  -0.433003  -0.171798   0.060589   0.084305
     4  C    0.090666   0.206232  -0.204769  -0.018467   0.000080  -0.003984
     5  C   -0.007944  -0.057722   0.047668   0.183019  -0.141012  -0.012359
     6  C    0.000503  -0.002338  -0.771028  -2.252220  -0.114408  -0.706372
     7  C    0.000778   0.001012  -0.022453   0.178754  -0.131556   0.089166
     8  C   -0.000256  -0.000225  -0.028926   0.090427  -0.046056   0.005407
     9  H   -0.016208  -0.017454   0.020508   0.026541  -0.000589   0.027761
    10  H    0.000358   0.000254  -0.002930  -0.011498   0.000467  -0.074433
    11  H    0.000021   0.000335  -0.004318  -0.052599   0.003676  -0.114598
    12  H   -0.054617  -0.067859   0.005586   0.001633  -0.000012   0.000010
    13  H    0.636421   0.099375  -0.030109   0.000223   0.000254  -0.000294
    14  H    0.099375   0.647992  -0.039176  -0.006637   0.000578  -0.000324
    15  H   -0.030109  -0.039176   2.528357   0.215851  -0.055488   0.062385
    16  C    0.000223  -0.006637   0.215851   6.473110  -0.445189   0.243731
    17  C    0.000254   0.000578  -0.055488  -0.445189   5.276467  -0.132508
    18  H   -0.000294  -0.000324   0.062385   0.243731  -0.132508   2.951665
    19  H    0.002987   0.000612  -0.128132  -0.019078   0.052268  -0.236669
    20  H   -0.005250  -0.000080   0.137378   0.004235  -0.013149   0.165071
    21  H   -0.000163  -0.000639   0.023865   0.360623   0.013580   0.028170
    22  H   -0.000094   0.001960   0.012616  -0.053298   0.023529  -0.003135
    23  H   -0.000010  -0.000189   0.000892  -0.020622  -0.002205   0.008165
    24  H   -0.000031   0.000012   0.001096   0.012340   0.194314  -0.021566
    25  H    0.000003  -0.000004  -0.000078   0.031439  -0.044893   0.027605
    26  H   -0.000022  -0.000016   0.016367   0.025608  -0.081948   0.004481
              19         20         21         22         23         24
     1  C    0.050040  -0.074318  -0.013134  -0.003246   0.005745  -0.001238
     2  C    0.069029  -0.099728   0.020615   0.001891  -0.006055  -0.000031
     3  C    0.058750  -0.120171  -0.062555   0.015367   0.007002   0.000161
     4  C    0.004636   0.002019   0.005100  -0.001503  -0.002034  -0.000373
     5  C    0.007905  -0.087299  -0.066595   0.009239   0.014390  -0.044272
     6  C   -0.007148   0.155996   0.028076   0.222952   0.191518   0.403283
     7  C   -0.004836  -0.051629  -0.045226   0.010575   0.034666  -0.081887
     8  C    0.001301   0.230487   0.023526  -0.007332  -0.012667  -0.017321
     9  H   -0.002496   0.017144   0.006530  -0.003030  -0.001736  -0.000008
    10  H    0.005449  -0.014140  -0.006377   0.000431   0.002187   0.000487
    11  H    0.002052  -0.005381  -0.008867   0.000788  -0.001873   0.000139
    12  H   -0.000242   0.000300  -0.000333  -0.000440  -0.000014   0.000003
    13  H    0.002987  -0.005250  -0.000163  -0.000094  -0.000010  -0.000031
    14  H    0.000612  -0.000080  -0.000639   0.001960  -0.000189   0.000012
    15  H   -0.128132   0.137378   0.023865   0.012616   0.000892   0.001096
    16  C   -0.019078   0.004235   0.360623  -0.053298  -0.020622   0.012340
    17  C    0.052268  -0.013149   0.013580   0.023529  -0.002205   0.194314
    18  H   -0.236669   0.165071   0.028170  -0.003135   0.008165  -0.021566
    19  H    1.978963  -0.774339  -0.001910  -0.000877  -0.000843   0.016999
    20  H   -0.774339   2.027168   0.003888  -0.000628  -0.000632  -0.001990
    21  H   -0.001910   0.003888   0.962267  -0.071481  -0.142134  -0.003321
    22  H   -0.000877  -0.000628  -0.071481   0.685071   0.012083  -0.000192
    23  H   -0.000843  -0.000632  -0.142134   0.012083   0.711350   0.001806
    24  H    0.016999  -0.001990  -0.003321  -0.000192   0.001806   0.869707
    25  H    0.001719   0.001356   0.003517  -0.008469   0.006155  -0.054749
    26  H    0.002182   0.001753   0.004934   0.010769  -0.009401  -0.076316
              25         26
     1  C    0.000212   0.000857
     2  C   -0.001394  -0.000527
     3  C   -0.002513   0.000055
     4  C   -0.000024  -0.000387
     5  C    0.013647   0.016694
     6  C    0.152028   0.161388
     7  C    0.015113   0.030064
     8  C   -0.002148  -0.003685
     9  H    0.000016   0.000027
    10  H   -0.000935  -0.000153
    11  H   -0.000770  -0.000265
    12  H   -0.000004  -0.000007
    13  H    0.000003  -0.000022
    14  H   -0.000004  -0.000016
    15  H   -0.000078   0.016367
    16  C    0.031439   0.025608
    17  C   -0.044893  -0.081948
    18  H    0.027605   0.004481
    19  H    0.001719   0.002182
    20  H    0.001356   0.001753
    21  H    0.003517   0.004934
    22  H   -0.008469   0.010769
    23  H    0.006155  -0.009401
    24  H   -0.054749  -0.076316
    25  H    0.684947  -0.021615
    26  H   -0.021615   0.719446
 Mulliken charges:
               1
     1  C   -0.274838
     2  C    1.216594
     3  C   -1.239179
     4  C    0.930501
     5  C   -0.037514
     6  C   -3.528204
     7  C   -0.203003
     8  C    1.301186
     9  H   -0.342865
    10  H    0.095725
    11  H    0.137571
    12  H    0.190683
    13  H    0.056827
    14  H    0.070179
    15  H   -0.341601
    16  C    1.364400
    17  C    1.527452
    18  H   -0.838989
    19  H   -0.078323
    20  H   -0.498060
    21  H   -0.061956
    22  H    0.146455
    23  H    0.204458
    24  H   -0.197052
    25  H    0.199838
    26  H    0.199717
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.617703
     2  C    1.449890
     3  C   -1.239179
     4  C    1.248189
     5  C   -0.379115
     6  C   -3.528204
     7  C   -1.041992
     8  C    0.724803
    16  C    1.653357
    17  C    1.729954
 Electronic spatial extent (au):  <R**2>=           1369.0847
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1085    Y=             -0.1315    Z=             -0.0751  Tot=              0.1863
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2596   YY=            -62.6296   ZZ=            -64.3359
   XY=             -0.7118   XZ=              0.4322   YZ=              0.9122
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1487   YY=              0.7788   ZZ=             -0.9276
   XY=             -0.7118   XZ=              0.4322   YZ=              0.9122
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.9674  YYY=             -0.8445  ZZZ=             -2.5981  XYY=              0.8816
  XXY=              0.8386  XXZ=              1.9659  XZZ=             -0.6756  YZZ=              0.6590
  YYZ=              0.6430  XYZ=              1.0249
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -966.3403 YYYY=           -517.1045 ZZZZ=           -428.6625 XXXY=             -6.9474
 XXXZ=              4.6961 YYYX=              1.7125 YYYZ=             -2.4524 ZZZX=              1.4293
 ZZZY=              5.7973 XXYY=           -252.1523 XXZZ=           -228.2186 YYZZ=           -158.8316
 XXYZ=              4.7896 YYXZ=             -0.0677 ZZXY=             -1.4324
 N-N= 5.686455418258D+02 E-N=-2.038140786660D+03  KE= 3.853379988175D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:07:13 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2305   -0.2280       -0.1424   -0.1424
 2      0.2305    0.2280       -2.3647   -2.3678       -1.2030   -1.1965
 3      0.1424    0.1424        7.3132    7.3089        2.3662    2.3678
 4      2.3647    2.3678       -0.0000    0.0000        0.1432    0.1424
 5     -6.1101   -6.1124       -0.1432   -0.1424       -0.2301   -0.2280
 6     -2.3662   -2.3678        0.2301    0.2280        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6841    0.6841       -0.4271   -0.4271
 2      7.1034    7.1034        0.0000    0.0000       -0.4271   -0.4271
 3      7.1034    7.1034        0.6841    0.6841        0.0000    0.0000
 4      0.6841    0.6841       -7.1034   -7.1034       -3.5894   -3.5894
 5      0.4271    0.4271       21.9267   21.9267        7.1034    7.1034
 6    -18.3373  -18.3373       -0.4271   -0.4271       -0.6841   -0.6841
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.7981    0.0000        1.0242    0.9122        0.5177    0.5694
 2     -0.2355   -0.9122        8.0304    9.4712        3.8194    4.7859
 3     -1.3963   -0.5694      -29.5332  -29.2356       -9.5756   -9.4712
 4     -9.1282   -9.4712       -0.2891    0.0000       -0.0117   -0.5694
 5     23.8428   24.4497        1.0500    0.5694        1.0986    0.9122
 6      9.6654    9.4712       -0.7986   -0.9122        0.1065    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3667    0.0000       12.1107   12.3955       -6.7829   -6.4248
 2    -12.2902  -12.3955      -29.7413  -26.9887      -31.9386  -32.0232
 3      6.4910    6.4248      -29.1655  -28.6390       26.8417   26.9887
 4     26.5689   26.9887        0.2935    0.0000        6.5787    6.4248
 5     60.4779   60.6622       -5.7380   -6.4248       10.6563   12.3955
 6    -26.8204  -26.9887      -12.0493  -12.3955        0.1486    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.2160   21.4284       38.0309   38.5177       -5.8833   -5.3909
 2     54.1266   53.8840       55.4403   56.0367       -5.2877   -5.3909
 3     54.0269   53.8840       38.3322   38.5177       -7.3585   -7.0148
 4    -16.3776  -17.5190      -35.2519  -32.4555      -39.3764  -39.1715
 5     -2.2871   -1.6238      -23.3426  -23.5866       33.2420   32.4555
 6     63.5444   62.7580        0.7367    1.6238       14.4120   17.5190
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.5329                 0.0959                 0.7133
  Dep-P Fr= 1--      0.7436                 0.4289                 0.7422
  Dep-U Fr= 1--      0.8529                 0.6004                 0.8521
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0001
 Beta2  Fr= 1--      0.2179                 0.0096                 0.1013
 AlphaG Fr= 1--     -0.0059                -0.0002                -0.0000
 Gamma2 Fr= 1--     -0.1238                -0.0436                 0.3336
 Delta2 Fr= 1--     -0.0933                 0.0483                -0.0131
 Raman1 Fr= 1--       6.132                  0.383                  2.853
 ROA1   Fr= 1--     -14.867                 -2.642                 31.609
 CID1   Fr= 1--      -2.425                 -6.889                 11.079
 Raman2 Fr= 1--       2.615                  0.115                  1.215
 ROA2   Fr= 1--      -2.224                 -1.434                  8.112
 CID2   Fr= 1--      -0.850                -12.454                  6.674
 Raman3 Fr= 1--       5.230                  0.230                  2.431
 ROA3   Fr= 1--     -14.867                 -2.642                 31.609
 CID3   Fr= 1--      -2.843                -11.474                 13.002
 RC180  Fr= 1--       0.706                  0.201                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.3191                 0.3840                 2.0560
  Dep-P Fr= 1--      0.7366                 0.6926                 0.6367
  Dep-U Fr= 1--      0.8483                 0.8184                 0.7781
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0042
 Beta2  Fr= 1--      0.0451                 0.0524                 0.2666
 AlphaG Fr= 1--     -0.0020                -0.0052                -0.0001
 Gamma2 Fr= 1--     -0.2327                 0.2901                 0.5380
 Delta2 Fr= 1--      0.0900                -0.0034                 0.1345
 Raman1 Fr= 1--       1.276                  1.536                  8.224
 ROA1   Fr= 1--     -19.464                 27.738                 55.952
 CID1   Fr= 1--     -15.248                 18.057                  6.803
 Raman2 Fr= 1--       0.541                  0.629                  3.199
 ROA2   Fr= 1--      -6.306                  6.989                 11.836
 CID2   Fr= 1--     -11.646                 11.119                  3.699
 Raman3 Fr= 1--       1.083                  1.257                  6.399
 ROA3   Fr= 1--     -19.464                 27.738                 55.952
 CID3   Fr= 1--     -17.974                 22.065                  8.744
 RC180  Fr= 1--       0.697                  0.637                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.0095                 0.2381                 1.1225
  Dep-P Fr= 1--      0.7402                 0.4262                 0.7242
  Dep-U Fr= 1--      0.8507                 0.5977                 0.8400
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0005
 Beta2  Fr= 1--      0.1431                 0.0237                 0.1571
 AlphaG Fr= 1--      0.0055                -0.0121                -0.0003
 Gamma2 Fr= 1--      0.0553                -0.1541                -0.8892
 Delta2 Fr= 1--      0.1451                -0.0589                -0.1355
 Raman1 Fr= 1--       4.038                  0.953                  4.490
 ROA1   Fr= 1--       9.952                -16.674                -89.700
 CID1   Fr= 1--       2.465                -17.505                -19.979
 Raman2 Fr= 1--       1.718                  0.285                  1.886
 ROA2   Fr= 1--       0.166                 -3.227                -20.257
 CID2   Fr= 1--       0.096                -11.335                -10.742
 Raman3 Fr= 1--       3.435                  0.569                  3.772
 ROA3   Fr= 1--       9.952                -16.674                -89.700
 CID3   Fr= 1--       2.897                -29.288                -23.783
 RC180  Fr= 1--       0.701                  0.195                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.4415                 0.9134                 2.4242
  Dep-P Fr= 1--      0.1699                 0.6845                 0.3750
  Dep-U Fr= 1--      0.2904                 0.8127                 0.5454
 Alpha2 Fr= 1--      0.0212                 0.0011                 0.0196
 Beta2  Fr= 1--      0.0698                 0.1237                 0.2204
 AlphaG Fr= 1--      0.0235                -0.0039                 0.0128
 Gamma2 Fr= 1--      0.3850                -0.2000                -0.1022
 Delta2 Fr= 1--      0.1412                 0.0481                -0.2818
 Raman1 Fr= 1--       5.766                  3.654                  9.697
 ROA1   Fr= 1--      41.479                -17.657                -18.830
 CID1   Fr= 1--       7.194                 -4.833                 -1.942
 Raman2 Fr= 1--       0.837                  1.485                  2.644
 ROA2   Fr= 1--       8.111                 -5.184                 -0.199
 CID2   Fr= 1--       9.688                 -3.492                 -0.075
 Raman3 Fr= 1--       1.675                  2.969                  5.289
 ROA3   Fr= 1--      41.479                -17.657                -18.830
 CID3   Fr= 1--      24.770                 -5.946                 -3.560
 RC180  Fr= 1--      -0.419                  0.625                  0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.0837                 4.7411                 2.7808
  Dep-P Fr= 1--      0.4709                 0.1643                 0.5553
  Dep-U Fr= 1--      0.6403                 0.2822                 0.7141
 Alpha2 Fr= 1--      0.0117                 0.0707                 0.0103
 Beta2  Fr= 1--      0.2224                 0.2230                 0.3309
 AlphaG Fr= 1--     -0.0184                -0.0376                 0.0091
 Gamma2 Fr= 1--      0.5561                -1.1449                 1.3750
 Delta2 Fr= 1--      0.1178                -0.7681                 1.0080
 Raman1 Fr= 1--       8.335                 18.964                 11.123
 ROA1   Fr= 1--      57.156               -134.496                164.252
 CID1   Fr= 1--       6.858                 -7.092                 14.767
 Raman2 Fr= 1--       2.668                  2.676                  3.971
 ROA2   Fr= 1--      12.404                -21.334                 24.935
 CID2   Fr= 1--       4.649                 -7.972                  6.279
 Raman3 Fr= 1--       5.337                  5.352                  7.943
 ROA3   Fr= 1--      57.156               -134.496                164.252
 CID3   Fr= 1--      10.710                -25.129                 20.680
 RC180  Fr= 1--       0.281                 -0.436                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     15.3407                 6.0006                 0.8142
  Dep-P Fr= 1--      0.0142                 0.1193                 0.5546
  Dep-U Fr= 1--      0.0280                 0.2132                 0.7135
 Alpha2 Fr= 1--      0.3298                 0.1002                 0.0030
 Beta2  Fr= 1--      0.0715                 0.2132                 0.0968
 AlphaG Fr= 1--      0.0825                 0.0436                -0.0688
 Gamma2 Fr= 1--      0.5618                 1.7884                -2.3070
 Delta2 Fr= 1--      0.1721                -0.1235                -1.1894
 Raman1 Fr= 1--      61.363                 24.002                  3.257
 ROA1   Fr= 1--      59.441                167.736               -259.531
 CID1   Fr= 1--       0.969                  6.988                -79.689
 Raman2 Fr= 1--       0.858                  2.559                  1.162
 ROA2   Fr= 1--      12.106                 43.911                -45.853
 CID2   Fr= 1--      14.105                 17.160                -39.464
 Raman3 Fr= 1--       1.717                  5.118                  2.324
 ROA3   Fr= 1--      59.441                167.736               -259.531
 CID3   Fr= 1--      34.627                 32.775               -111.685
 RC180  Fr= 1--      -0.944                 -0.574                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.1440                 6.9341                 2.0430
  Dep-P Fr= 1--      0.7450                 0.3893                 0.5770
  Dep-U Fr= 1--      0.8539                 0.5605                 0.7317
 Alpha2 Fr= 1--      0.0003                 0.0533                 0.0066
 Beta2  Fr= 1--      0.4474                 0.6477                 0.2492
 AlphaG Fr= 1--     -0.0076                 0.0533                 0.0276
 Gamma2 Fr= 1--     -0.3767                -0.2736                -1.8433
 Delta2 Fr= 1--      0.3747                 0.2281                -0.3604
 Raman1 Fr= 1--      12.576                 27.737                  8.172
 ROA1   Fr= 1--     -24.175                -18.969               -188.485
 CID1   Fr= 1--      -1.922                 -0.684                -23.065
 Raman2 Fr= 1--       5.369                  7.773                  2.990
 ROA2   Fr= 1--     -12.039                 -8.392                -41.355
 CID2   Fr= 1--      -2.242                 -1.080                -13.832
 Raman3 Fr= 1--      10.739                 15.545                  5.980
 ROA3   Fr= 1--     -24.175                -18.969               -188.485
 CID3   Fr= 1--      -2.251                 -1.220                -31.521
 RC180  Fr= 1--       0.708                  0.121                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.4189                 1.5876                 3.6896
  Dep-P Fr= 1--      0.1519                 0.7445                 0.5814
  Dep-U Fr= 1--      0.2637                 0.8535                 0.7353
 Alpha2 Fr= 1--      0.0680                 0.0001                 0.0117
 Beta2  Fr= 1--      0.1942                 0.2258                 0.4521
 AlphaG Fr= 1--     -0.0246                -0.0016                -0.0108
 Gamma2 Fr= 1--      0.3765                 1.5475                -0.0752
 Delta2 Fr= 1--      0.4101                -0.0072                 1.0339
 Raman1 Fr= 1--      17.676                  6.350                 14.758
 ROA1   Fr= 1--      49.265                148.331                 25.863
 CID1   Fr= 1--       2.787                 23.358                  1.752
 Raman2 Fr= 1--       2.331                  2.710                  5.426
 ROA2   Fr= 1--       5.754                 37.198                -10.077
 CID2   Fr= 1--       2.469                 13.725                 -1.857
 Raman3 Fr= 1--       4.661                  5.420                 10.852
 ROA3   Fr= 1--      49.265                148.331                 25.863
 CID3   Fr= 1--      10.569                 27.366                  2.383
 RC180  Fr= 1--      -0.473                  0.707                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.6902                 2.6576                 1.4646
  Dep-P Fr= 1--      0.4629                 0.7273                 0.6644
  Dep-U Fr= 1--      0.6328                 0.8422                 0.7984
 Alpha2 Fr= 1--      0.0273                 0.0010                 0.0022
 Beta2  Fr= 1--      0.4947                 0.3730                 0.1949
 AlphaG Fr= 1--     -0.0184                 0.0045                -0.0205
 Gamma2 Fr= 1--      2.1089                 0.1581                 0.2707
 Delta2 Fr= 1--      0.8909                -0.9933                -0.0873
 Raman1 Fr= 1--      18.761                 10.630                  5.858
 ROA1   Fr= 1--     230.965                -16.605                 23.188
 CID1   Fr= 1--      12.311                 -1.562                  3.958
 Raman2 Fr= 1--       5.936                  4.476                  2.339
 ROA2   Fr= 1--      43.487                 11.742                  7.195
 CID2   Fr= 1--       7.326                  2.623                  3.076
 Raman3 Fr= 1--      11.872                  8.952                  4.677
 ROA3   Fr= 1--     230.965                -16.605                 23.188
 CID3   Fr= 1--      19.455                 -1.855                  4.958
 RC180  Fr= 1--       0.266                  0.684                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.1020                 5.8091                 1.2726
  Dep-P Fr= 1--      0.1372                 0.1808                 0.6113
  Dep-U Fr= 1--      0.2413                 0.3063                 0.7587
 Alpha2 Fr= 1--      0.0495                 0.0830                 0.0032
 Beta2  Fr= 1--      0.1248                 0.2965                 0.1609
 AlphaG Fr= 1--      0.0602                 0.0632                -0.0474
 Gamma2 Fr= 1--      0.8379                 0.5480                -1.1121
 Delta2 Fr= 1--      0.2392                -0.2763                 0.1055
 Raman1 Fr= 1--      12.408                 23.237                  5.091
 ROA1   Fr= 1--      88.092                 43.762               -103.384
 CID1   Fr= 1--       7.100                  1.883                -20.309
 Raman2 Fr= 1--       1.497                  3.559                  1.931
 ROA2   Fr= 1--      18.195                 15.361                -27.535
 CID2   Fr= 1--      12.152                  4.317                -14.257
 Raman3 Fr= 1--       2.995                  7.117                  3.862
 ROA3   Fr= 1--      88.092                 43.762               -103.384
 CID3   Fr= 1--      29.417                  6.149                -26.766
 RC180  Fr= 1--      -0.517                 -0.387                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.2675                 6.0922                 0.4296
  Dep-P Fr= 1--      0.4309                 0.3763                 0.7292
  Dep-U Fr= 1--      0.6022                 0.5469                 0.8434
 Alpha2 Fr= 1--      0.0084                 0.0490                 0.0002
 Beta2  Fr= 1--      0.1272                 0.5553                 0.0604
 AlphaG Fr= 1--      0.0229                -0.0565                -0.0003
 Gamma2 Fr= 1--     -0.8166                 0.7669                -0.2988
 Delta2 Fr= 1--     -1.1245                 0.7463                 0.1906
 Raman1 Fr= 1--       5.070                 24.369                  1.719
 ROA1   Fr= 1--    -114.383                 97.499                -22.589
 CID1   Fr= 1--     -22.561                  4.001                -13.144
 Raman2 Fr= 1--       1.527                  6.663                  0.725
 ROA2   Fr= 1--     -10.603                 12.434                 -8.697
 CID2   Fr= 1--      -6.945                  1.866                -12.001
 Raman3 Fr= 1--       3.053                 13.327                  1.449
 ROA3   Fr= 1--    -114.383                 97.499                -22.589
 CID3   Fr= 1--     -37.462                  7.316                -15.585
 RC180  Fr= 1--       0.204                  0.094                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      5.8797                 7.8521                 3.9537
  Dep-P Fr= 1--      0.5818                 0.7220                 0.6488
  Dep-U Fr= 1--      0.7356                 0.8385                 0.7870
 Alpha2 Fr= 1--      0.0185                 0.0038                 0.0072
 Beta2  Fr= 1--      0.7209                 1.0974                 0.5186
 AlphaG Fr= 1--      0.0005                -0.0198                 0.0019
 Gamma2 Fr= 1--     -1.7913                 1.3695                -0.5016
 Delta2 Fr= 1--     -0.0841                 0.4014                 0.1272
 Raman1 Fr= 1--      23.519                 31.409                 15.815
 ROA1   Fr= 1--    -174.652                144.317                -44.082
 CID1   Fr= 1--      -7.426                  4.595                 -2.787
 Raman2 Fr= 1--       8.650                 13.168                  6.223
 ROA2   Fr= 1--     -42.318                 29.657                -13.056
 CID2   Fr= 1--      -4.892                  2.252                 -2.098
 Raman3 Fr= 1--      17.301                 26.337                 12.446
 ROA3   Fr= 1--    -174.652                144.317                -44.082
 CID3   Fr= 1--     -10.095                  5.480                 -3.542
 RC180  Fr= 1--       0.471                  0.677                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.3406                 1.3661                 4.4385
  Dep-P Fr= 1--      0.7300                 0.3113                 0.2126
  Dep-U Fr= 1--      0.8439                 0.4748                 0.3506
 Alpha2 Fr= 1--      0.0011                 0.0135                 0.0583
 Beta2  Fr= 1--      0.4699                 0.1081                 0.2594
 AlphaG Fr= 1--     -0.0022                -0.0223                 0.0423
 Gamma2 Fr= 1--     -0.1403                -0.7605                 1.0352
 Delta2 Fr= 1--      0.5116                -0.2871                -0.8715
 Raman1 Fr= 1--      13.362                  5.464                 17.754
 ROA1   Fr= 1--       2.905                -82.193                 71.488
 CID1   Fr= 1--       0.217                -15.042                  4.027
 Raman2 Fr= 1--       5.638                  1.297                  3.112
 ROA2   Fr= 1--      -7.460                -15.954                 31.816
 CID2   Fr= 1--      -1.323                -12.297                 10.223
 Raman3 Fr= 1--      11.277                  2.595                  6.225
 ROA3   Fr= 1--       2.905                -82.193                 71.488
 CID3   Fr= 1--       0.258                -31.677                 11.485
 RC180  Fr= 1--       0.688                 -0.050                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.3092                 7.0317                 6.0362
  Dep-P Fr= 1--      0.3353                 0.4873                 0.6816
  Dep-U Fr= 1--      0.5022                 0.6553                 0.8107
 Alpha2 Fr= 1--      0.0028                 0.0368                 0.0073
 Beta2  Fr= 1--      0.0259                 0.7680                 0.8156
 AlphaG Fr= 1--     -0.0015                 0.0126                -0.0027
 Gamma2 Fr= 1--      0.2201                 1.0976                 0.0452
 Delta2 Fr= 1--      0.1218                 0.1377                -0.8606
 Raman1 Fr= 1--       1.237                 28.127                 24.145
 ROA1   Fr= 1--      25.023                109.774                -23.195
 CID1   Fr= 1--      20.235                  3.903                 -0.961
 Raman2 Fr= 1--       0.311                  9.216                  9.787
 ROA2   Fr= 1--       4.307                 25.240                  7.970
 CID2   Fr= 1--      13.870                  2.739                  0.814
 Raman3 Fr= 1--       0.621                 18.432                 19.574
 ROA3   Fr= 1--      25.023                109.774                -23.195
 CID3   Fr= 1--      40.292                  5.956                 -1.185
 RC180  Fr= 1--       0.004                  0.311                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--      9.1272                 2.0454                 0.3163
  Dep-P Fr= 1--      0.2471                 0.7326                 0.5135
  Dep-U Fr= 1--      0.3962                 0.8457                 0.6786
 Alpha2 Fr= 1--      0.1091                 0.0006                 0.0015
 Beta2  Fr= 1--      0.6028                 0.2883                 0.0358
 AlphaG Fr= 1--      0.0731                -0.0027                -0.0054
 Gamma2 Fr= 1--      1.8352                -0.6319                 0.4125
 Delta2 Fr= 1--      1.0356                -0.5353                 0.0378
 Raman1 Fr= 1--      36.509                  8.182                  1.265
 ROA1   Fr= 1--     209.319                -77.790                 40.806
 CID1   Fr= 1--       5.733                 -9.508                 32.254
 Raman2 Fr= 1--       7.233                  3.460                  0.429
 ROA2   Fr= 1--      35.760                -10.883                  9.597
 CID2   Fr= 1--       4.944                 -3.146                 22.357
 Raman3 Fr= 1--      14.466                  6.919                  0.858
 ROA3   Fr= 1--     209.319                -77.790                 40.806
 CID3   Fr= 1--      14.469                -11.243                 47.532
 RC180  Fr= 1--      -0.208                  0.691                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--      8.2325                 0.1330                 5.4616
  Dep-P Fr= 1--      0.3694                 0.6976                 0.7351
  Dep-U Fr= 1--      0.5395                 0.8219                 0.8474
 Alpha2 Fr= 1--      0.0678                 0.0001                 0.0014
 Beta2  Fr= 1--      0.7402                 0.0182                 0.7713
 AlphaG Fr= 1--     -0.0028                -0.0008                -0.0247
 Gamma2 Fr= 1--      0.3637                -0.1853                -0.1750
 Delta2 Fr= 1--      0.2739                -0.0253                -0.0178
 Raman1 Fr= 1--      32.930                  0.532                 21.846
 ROA1   Fr= 1--      43.679                -18.604                -17.372
 CID1   Fr= 1--       1.326                -34.976                 -0.795
 Raman2 Fr= 1--       8.883                  0.219                  9.256
 ROA2   Fr= 1--       6.537                 -4.245                 -4.058
 CID2   Fr= 1--       0.736                -19.423                 -0.438
 Raman3 Fr= 1--      17.766                  0.437                 18.512
 ROA3   Fr= 1--      43.679                -18.604                -17.372
 CID3   Fr= 1--       2.459                -42.555                 -0.938
 RC180  Fr= 1--       0.079                  0.644                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     21.8100                 1.3351                12.1569
  Dep-P Fr= 1--      0.5795                 0.5496                 0.4729
  Dep-U Fr= 1--      0.7338                 0.7094                 0.6421
 Alpha2 Fr= 1--      0.0697                 0.0051                 0.0678
 Beta2  Fr= 1--      2.6674                 0.1578                 1.3010
 AlphaG Fr= 1--      0.0479                -0.0032                -0.0467
 Gamma2 Fr= 1--     -6.4409                 2.1275                 3.5590
 Delta2 Fr= 1--     -4.7228                 0.6521                 2.5041
 Raman1 Fr= 1--      87.240                  5.340                 48.628
 ROA1   Fr= 1--    -769.456                225.105                421.795
 CID1   Fr= 1--      -8.820                 42.152                  8.674
 Raman2 Fr= 1--      32.008                  1.894                 15.612
 ROA2   Fr= 1--    -116.799                 45.843                 65.383
 CID2   Fr= 1--      -3.649                 24.202                  4.188
 Raman3 Fr= 1--      64.017                  3.788                 31.225
 ROA3   Fr= 1--    -769.456                225.105                421.795
 CID3   Fr= 1--     -12.020                 59.421                 13.508
 RC180  Fr= 1--       0.468                  0.419                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      2.9066                 6.6753                 4.0008
  Dep-P Fr= 1--      0.6074                 0.6372                 0.7497
  Dep-U Fr= 1--      0.7558                 0.7784                 0.8569
 Alpha2 Fr= 1--      0.0076                 0.0136                 0.0000
 Beta2  Fr= 1--      0.3661                 0.8660                 0.5714
 AlphaG Fr= 1--     -0.0131                 0.0097                 0.0004
 Gamma2 Fr= 1--      0.8894                -2.5928                 0.0906
 Delta2 Fr= 1--      0.3100                -0.5621                -0.5383
 Raman1 Fr= 1--      11.627                 26.701                 16.003
 ROA1   Fr= 1--      95.301               -266.897                 -8.525
 CID1   Fr= 1--       8.197                 -9.996                 -0.533
 Raman2 Fr= 1--       4.393                 10.392                  6.857
 ROA2   Fr= 1--      18.864                -57.731                  6.482
 CID2   Fr= 1--       4.294                 -5.555                  0.945
 Raman3 Fr= 1--       8.787                 20.785                 13.713
 ROA3   Fr= 1--      95.301               -266.897                 -8.525
 CID3   Fr= 1--      10.846                -12.841                 -0.622
 RC180  Fr= 1--       0.512                  0.557                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      3.4345                46.9432               179.7216
  Dep-P Fr= 1--      0.5296                 0.1407                 0.1469
  Dep-U Fr= 1--      0.6925                 0.2467                 0.2562
 Alpha2 Fr= 1--      0.0147                 0.7430                 2.8003
 Beta2  Fr= 1--      0.3964                 1.9299                 7.6727
 AlphaG Fr= 1--     -0.0093                 0.0864                 0.2125
 Gamma2 Fr= 1--     -0.8626                -0.7469                -2.7170
 Delta2 Fr= 1--     -0.0084                -0.3275                -1.1240
 Raman1 Fr= 1--      13.738                187.773                718.886
 ROA1   Fr= 1--     -83.079                -82.188               -296.801
 CID1   Fr= 1--      -6.047                 -0.438                 -0.413
 Raman2 Fr= 1--       4.756                 23.159                 92.072
 ROA2   Fr= 1--     -20.636                -15.307                -56.216
 CID2   Fr= 1--      -4.339                 -0.661                 -0.611
 Raman3 Fr= 1--       9.513                 46.318                184.144
 ROA3   Fr= 1--     -83.079                -82.188               -296.801
 CID3   Fr= 1--      -8.733                 -1.774                 -1.612
 RC180  Fr= 1--       0.385                 -0.507                 -0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    229.8237               111.2251                16.0918
  Dep-P Fr= 1--      0.0455                 0.6772                 0.4233
  Dep-U Fr= 1--      0.0869                 0.8076                 0.5948
 Alpha2 Fr= 1--      4.5891                 0.1430                 0.1094
 Beta2  Fr= 1--      3.3305                14.9703                 1.5953
 AlphaG Fr= 1--     -0.1295                 0.4203                 0.0120
 Gamma2 Fr= 1--     -1.0343                 7.7641                -0.6623
 Delta2 Fr= 1--      1.6075                -1.2668                 0.8608
 Raman1 Fr= 1--     919.295                444.900                 64.367
 ROA1   Fr= 1--     -47.855                704.815                -36.032
 CID1   Fr= 1--      -0.052                  1.584                 -0.560
 Raman2 Fr= 1--      39.966                179.643                 19.143
 ROA2   Fr= 1--     -37.683                196.473                -22.780
 CID2   Fr= 1--      -0.943                  1.094                 -1.190
 Raman3 Fr= 1--      79.932                359.287                 38.286
 ROA3   Fr= 1--     -47.855                704.815                -36.032
 CID3   Fr= 1--      -0.599                  1.962                 -0.941
 RC180  Fr= 1--      -0.826                  0.615                  0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    283.2783                80.9706               151.8418
  Dep-P Fr= 1--      0.0294                 0.7436                 0.2761
  Dep-U Fr= 1--      0.0571                 0.8529                 0.4327
 Alpha2 Fr= 1--      5.8761                 0.0089                 1.6707
 Beta2  Fr= 1--      2.6936                11.5103                10.9513
 AlphaG Fr= 1--      0.1821                -0.1554                 0.3579
 Gamma2 Fr= 1--      2.6464                -2.6386                 8.9008
 Delta2 Fr= 1--      0.2577                -2.5220                 4.9166
 Raman1 Fr= 1--    1133.113                323.882                607.367
 ROA1   Fr= 1--     262.303               -334.011               1011.808
 CID1   Fr= 1--       0.231                 -1.031                  1.666
 Raman2 Fr= 1--      32.323                138.124                131.415
 ROA2   Fr= 1--      61.453                -43.151                174.287
 CID2   Fr= 1--       1.901                 -0.312                  1.326
 Raman3 Fr= 1--      64.646                276.247                262.831
 ROA3   Fr= 1--     262.303               -334.011               1011.808
 CID3   Fr= 1--       4.057                 -1.209                  3.850
 RC180  Fr= 1--      -0.886                  0.706                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     68.6045                21.8894               228.3017
  Dep-P Fr= 1--      0.5457                 0.7497                 0.0165
  Dep-U Fr= 1--      0.7060                 0.8570                 0.0325
 Alpha2 Fr= 1--      0.2687                 0.0001                 4.8811
 Beta2  Fr= 1--      8.0730                 3.1264                 1.2360
 AlphaG Fr= 1--      0.0641                 0.0020                -1.1192
 Gamma2 Fr= 1--    -15.3340                 8.1587                -5.2925
 Delta2 Fr= 1--     -9.7109                 4.5410                 0.3000
 Raman1 Fr= 1--     274.418                 87.558                913.207
 ROA1   Fr= 1--   -1782.816                928.551               -498.483
 CID1   Fr= 1--      -6.497                 10.605                 -0.546
 Raman2 Fr= 1--      96.876                 37.517                 14.832
 ROA2   Fr= 1--    -290.330                159.482               -129.421
 CID2   Fr= 1--      -2.997                  4.251                 -8.726
 Raman3 Fr= 1--     193.752                 75.034                 29.664
 ROA3   Fr= 1--   -1782.816                928.551               -498.483
 CID3   Fr= 1--      -9.202                 12.375                -16.804
 RC180  Fr= 1--       0.412                  0.714                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    127.9782                77.8528                24.3969
  Dep-P Fr= 1--      0.7225                 0.6834                 0.6284
  Dep-U Fr= 1--      0.8389                 0.8119                 0.7718
 Alpha2 Fr= 1--      0.0605                 0.0913                 0.0540
 Beta2  Fr= 1--     17.8939                10.5350                 3.1384
 AlphaG Fr= 1--      0.0257                 0.1019                -0.0210
 Gamma2 Fr= 1--     -2.0907                 0.7683                 0.4421
 Delta2 Fr= 1--      0.3488                 0.7119                -0.7783
 Raman1 Fr= 1--     511.913                311.411                 97.588
 ROA1   Fr= 1--    -189.540                 96.542                 17.536
 CID1   Fr= 1--      -0.370                  0.310                  0.180
 Raman2 Fr= 1--     214.727                126.420                 37.661
 ROA2   Fr= 1--     -52.967                 12.745                 16.836
 CID2   Fr= 1--      -0.247                  0.101                  0.447
 Raman3 Fr= 1--     429.454                252.841                 75.321
 ROA3   Fr= 1--    -189.540                 96.542                 17.536
 CID3   Fr= 1--      -0.441                  0.382                  0.233
 RC180  Fr= 1--       0.678                  0.624                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     47.5754               101.1075               152.5921
  Dep-P Fr= 1--      0.4768                 0.4877                 0.2419
  Dep-U Fr= 1--      0.6458                 0.6556                 0.3896
 Alpha2 Fr= 1--      0.2607                 0.5282                 1.8496
 Beta2  Fr= 1--      5.1204                11.0484                 9.9085
 AlphaG Fr= 1--      0.3953                 0.0073                -0.1216
 Gamma2 Fr= 1--      4.7033                -1.5346                 0.9126
 Delta2 Fr= 1--     -0.0200                 1.4870                 0.9362
 Raman1 Fr= 1--     190.302                404.430                610.368
 ROA1   Fr= 1--     450.875                -99.738                117.565
 CID1   Fr= 1--       2.369                 -0.247                  0.193
 Raman2 Fr= 1--      61.445                132.580                118.902
 ROA2   Fr= 1--     113.039                -48.726                 14.413
 CID2   Fr= 1--       1.840                 -0.368                  0.121
 Raman3 Fr= 1--     122.889                265.161                237.803
 ROA3   Fr= 1--     450.875                -99.738                117.565
 CID3   Fr= 1--       3.669                 -0.376                  0.494
 RC180  Fr= 1--       0.292                  0.311                 -0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.119927D+03 -0.284719D+00  0.456081D+00
      2  -0.284719D+00  0.117534D+03  0.473561D+01
      3   0.456081D+00  0.473561D+01  0.105309D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.294047D+00  0.272908D+01  0.487657D+01
      2   0.369573D+01  0.157176D+02 -0.331593D+01
      3   0.751894D+01 -0.236728D+02 -0.146136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112389D+02 -0.378529D+02  0.679525D+00
      2   0.509475D+01  0.196690D+02  0.769431D+01
      3  -0.163337D+02  0.181838D+02 -0.837383D+01
      4  -0.377100D+02  0.352731D+02  0.266269D+02
      5   0.130617D+02  0.240294D+02 -0.186109D+02
      6   0.963864D+01  0.184526D+02  0.807645D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333760D+01  0.368022D+00 -0.137069D+01  0.176809D+01 -0.573007D+00
      2   0.368022D+00 -0.669181D+00 -0.252488D+01 -0.573007D+00  0.161108D+02
      3  -0.137069D+01 -0.252488D+01 -0.219325D+01 -0.172797D+01  0.322280D+01
                 6             7             8             9            10 
      1  -0.172797D+01 -0.923129D+00 -0.314360D+01 -0.183520D+01  0.953646D+00
      2   0.322280D+01 -0.314360D+01  0.191182D+01  0.402616D+01  0.761790D+00
      3   0.263370D+01 -0.183520D+01  0.402616D+01  0.570595D+01  0.499696D+00
                11            12            13            14            15 
      1   0.761790D+00  0.499696D+00  0.147885D+01  0.252853D+00  0.184026D+01
      2   0.892659D+00  0.318478D+01  0.252853D+00 -0.106448D+02  0.619754D+00
      3   0.318478D+01  0.269979D+01  0.184026D+01  0.619754D+00 -0.124080D+01
                16            17            18            19            20 
      1   0.861165D+00  0.297355D+01  0.282057D+01  0.198662D+01 -0.275661D+01
      2   0.297355D+01  0.230354D+01 -0.364586D+01 -0.275661D+01  0.138024D+01
      3   0.282057D+01 -0.364586D+01 -0.550014D+01 -0.507147D+00  0.108812D+01
                21            22            23            24            25 
      1  -0.507147D+00 -0.255332D+01  0.135377D+01  0.114434D+01 -0.100281D+01
      2   0.108812D+01  0.135377D+01 -0.160147D+02 -0.435821D+01  0.481453D+00
      3   0.729766D+00  0.114434D+01 -0.435821D+01 -0.368341D+01  0.136564D+01
                26            27            28            29            30 
      1   0.481453D+00  0.136564D+01 -0.432109D+01 -0.634752D+00 -0.116427D+01
      2  -0.422231D+01 -0.403466D+01 -0.634752D+00 -0.517334D+00 -0.261212D+01
      3  -0.403466D+01 -0.446581D+01 -0.116427D+01 -0.261212D+01 -0.248279D+01
                31            32            33            34            35 
      1  -0.205066D+01 -0.230192D+01 -0.248193D+01 -0.131614D+01 -0.268268D+01
      2  -0.230192D+01  0.940700D+01 -0.300958D+00 -0.268268D+01 -0.895098D+00
      3  -0.248193D+01 -0.300958D+00  0.159560D+01 -0.406015D+01  0.366750D+01
                36            37            38            39            40 
      1  -0.406015D+01  0.430585D+01  0.181604D+01 -0.244843D+01 -0.198654D+01
      2   0.366750D+01  0.181604D+01  0.855415D+00 -0.937642D+00  0.949065D-01
      3   0.456151D+01 -0.244843D+01 -0.937642D+00  0.317609D+01 -0.190135D+01
                41            42            43            44            45 
      1   0.949065D-01 -0.190135D+01 -0.531342D+01 -0.121479D+01  0.247814D+01
      2   0.391519D+01  0.377040D+01 -0.121479D+01  0.342509D+01  0.278938D+00
      3   0.377040D+01 -0.150683D+01  0.247814D+01  0.278938D+00  0.569283D+00
                46            47            48            49            50 
      1  -0.335550D+01  0.115046D+01  0.462725D+01  0.345944D+01 -0.142258D+01
      2   0.115046D+01 -0.117617D+01  0.670544D+00 -0.142258D+01 -0.709345D+01
      3   0.462725D+01  0.670544D+00 -0.159576D+01  0.965698D+00  0.162935D+01
                51            52            53            54            55 
      1   0.965698D+00  0.707594D+01  0.126241D+01 -0.151271D+01  0.217601D+01
      2   0.162935D+01  0.126241D+01  0.217552D+01  0.128143D+01 -0.352088D+01
      3   0.110396D+01 -0.151271D+01  0.128143D+01 -0.244915D+01 -0.142152D+01
                56            57            58            59            60 
      1  -0.352088D+01 -0.142152D+01 -0.335606D+01  0.434098D+01 -0.154687D+01
      2   0.403698D+01 -0.149722D+01  0.434098D+01  0.305440D+01 -0.248165D+01
      3  -0.149722D+01 -0.156768D+01 -0.154687D+01 -0.248165D+01  0.266297D+01
                61            62            63            64            65 
      1  -0.153303D+01 -0.172277D+01 -0.178862D+01  0.227162D+00 -0.875029D+00
      2  -0.172277D+01 -0.301781D+01  0.163923D+01 -0.875029D+00 -0.227346D+01
      3  -0.178862D+01  0.163923D+01  0.324323D+01  0.322794D+01  0.369319D+01
                66            67            68            69            70 
      1   0.322794D+01  0.369436D+00 -0.184895D+01  0.439261D+01  0.299935D+01
      2   0.369319D+01 -0.184895D+01  0.114059D+01 -0.118210D+01  0.282021D+01
      3   0.937294D+00  0.439261D+01 -0.118210D+01 -0.803319D+00  0.110192D+01
                71            72            73            74            75 
      1   0.282021D+01  0.110192D+01  0.761185D+01  0.253687D+01  0.319370D+01
      2  -0.653867D+00 -0.133112D+01  0.253687D+01  0.131764D+01  0.129152D+01
      3  -0.133112D+01 -0.808271D+00  0.319370D+01  0.129152D+01  0.231115D+01
                76            77            78            79            80 
      1   0.181830D+01  0.129152D+01  0.877241D+00  0.333345D+01  0.164333D+01
      2   0.129152D+01  0.202789D+01  0.147033D+01  0.164333D+01  0.206103D+01
      3   0.877241D+00  0.147033D+01  0.128469D+01  0.219097D+01  0.818406D+00
                81            82            83            84            85 
      1   0.219097D+01  0.825890D+00  0.138628D+01 -0.366365D+00  0.144992D+01
      2   0.818406D+00  0.138628D+01  0.200374D+01 -0.279498D+00  0.106550D+01
      3   0.132235D+01 -0.366365D+00 -0.279498D+00 -0.136004D+00 -0.310952D+00
                86            87            88            89            90 
      1   0.106550D+01 -0.310952D+00 -0.818946D+00 -0.687306D+00 -0.126685D+00
      2   0.129270D+02 -0.871983D+00 -0.687306D+00 -0.360690D+01  0.204192D+01
      3  -0.871983D+00  0.109207D+01 -0.126685D+00  0.204192D+01 -0.141019D+00
                91            92            93            94            95 
      1  -0.119831D+01  0.664809D+00  0.133573D+01  0.177486D+00 -0.607954D+00
      2   0.664809D+00 -0.822261D+00 -0.112644D+01 -0.607954D+00  0.351406D+01
      3   0.133573D+01 -0.112644D+01 -0.174052D+01 -0.466683D+00  0.194345D+01
                96            97            98            99           100 
      1  -0.466683D+00  0.160343D+01 -0.137385D+01 -0.162350D+01  0.851077D+01
      2   0.194345D+01 -0.137385D+01  0.352784D+01  0.418694D+01 -0.410999D-01
      3   0.163066D+01 -0.162350D+01  0.418694D+01  0.797493D+01  0.205078D+01
               101           102           103           104           105 
      1  -0.410999D-01  0.205078D+01  0.280765D+01  0.535193D+00  0.624027D+00
      2   0.846290D+00  0.106121D+00  0.535193D+00  0.347394D+00  0.463508D+00
      3   0.106121D+00  0.160714D+01  0.624027D+00  0.463508D+00  0.465461D+00
               106           107           108           109           110 
      1   0.367206D+01 -0.122614D+00  0.207774D+01  0.220448D+01 -0.846051D+00
      2  -0.122614D+00  0.826210D+00 -0.204590D+00 -0.846051D+00  0.410563D+00
      3   0.207774D+01 -0.204590D+00  0.111539D+01 -0.155649D+01  0.913308D+00
               111           112           113           114           115 
      1  -0.155649D+01 -0.703668D+00  0.160062D+01  0.983409D+00 -0.356823D+01
      2   0.913308D+00  0.160062D+01 -0.306638D+01 -0.149473D+01  0.277596D+01
      3   0.165971D+01  0.983409D+00 -0.149473D+01 -0.154142D+01  0.336724D+01
               116           117           118           119           120 
      1   0.277596D+01  0.336724D+01 -0.426591D+00 -0.392594D+00  0.487983D+00
      2  -0.320539D+01 -0.339693D+01 -0.392594D+00 -0.185763D+01  0.396913D+00
      3  -0.339693D+01 -0.702586D+01  0.487983D+00  0.396913D+00 -0.124994D+00
               121           122           123           124           125 
      1  -0.192530D+01  0.178992D+01  0.311019D+00  0.100791D+01 -0.155137D+00
      2   0.178992D+01 -0.100204D+02  0.164787D+01 -0.155137D+00  0.309703D+01
      3   0.311019D+00  0.164787D+01 -0.148645D+01  0.660546D+00 -0.219583D+01
               126           127           128           129           130 
      1   0.660546D+00  0.442520D+00 -0.104948D+01 -0.886277D-01 -0.166977D+01
      2  -0.219583D+01 -0.104948D+01 -0.211412D+00  0.132404D+00  0.713667D+00
      3   0.626057D+00 -0.886277D-01  0.132404D+00 -0.156402D+00  0.389239D+00
               131           132           133           134           135 
      1   0.713667D+00  0.389239D+00 -0.932711D-01  0.490977D+00  0.767553D-01
      2  -0.746373D+01 -0.315921D+01  0.490977D+00 -0.279648D+01 -0.207638D+01
      3  -0.315921D+01 -0.215333D+01  0.767553D-01 -0.207638D+01 -0.223660D+01
               136           137           138           139           140 
      1  -0.682433D+00 -0.230759D+01 -0.411753D+01 -0.299232D+01  0.953752D+00
      2  -0.230759D+01  0.543904D+00  0.179449D+00  0.953752D+00  0.636319D+01
      3  -0.411753D+01  0.179449D+00  0.116059D+01  0.302566D+00 -0.244416D+01
               141           142           143           144           145 
      1   0.302566D+00 -0.441746D+01  0.270078D-01  0.129325D+01  0.108017D+01
      2  -0.244416D+01  0.270078D-01 -0.150287D+01 -0.173369D+01 -0.290509D+01
      3  -0.187641D+01  0.129325D+01 -0.173369D+01  0.211664D+01 -0.371268D+01
               146           147           148           149           150 
      1  -0.290509D+01 -0.371268D+01 -0.419006D+01  0.126278D+01 -0.179670D+00
      2   0.158669D-01 -0.228797D+00  0.126278D+01  0.680341D+01 -0.101060D+01
      3  -0.228797D+00  0.141975D+01 -0.179670D+00 -0.101060D+01 -0.185859D+01
               151           152           153           154           155 
      1  -0.458954D+01 -0.117574D+00  0.206679D+01 -0.655720D+01  0.413816D+01
      2  -0.117574D+00 -0.124476D+01 -0.156585D+01  0.413816D+01 -0.393760D+01
      3   0.206679D+01 -0.156585D+01  0.441292D+01  0.709838D-01  0.287560D+00
               156           157           158           159           160 
      1   0.709838D-01  0.315882D+01 -0.332329D+01  0.355180D+00  0.268580D+00
      2   0.287560D+00 -0.332329D+01  0.421801D+01  0.989212D-01  0.276348D+00
      3  -0.717124D+00  0.355180D+00  0.989212D-01  0.488469D+00 -0.861602D+00
               161           162           163           164           165 
      1   0.276348D+00 -0.861602D+00 -0.388040D+01 -0.260399D+00 -0.313212D+01
      2   0.254781D+00  0.868084D+00 -0.260399D+00 -0.559943D+00 -0.251753D+00
      3   0.868084D+00 -0.253814D+00 -0.313212D+01 -0.251753D+00 -0.402581D+01
               166           167           168           169           170 
      1  -0.682616D+00 -0.558087D+00 -0.701730D+00 -0.260517D+01 -0.341763D+00
      2  -0.558087D+00 -0.394966D+00 -0.734481D+00 -0.341763D+00 -0.631912D+00
      3  -0.701730D+00 -0.734481D+00 -0.629450D+00 -0.312668D+01 -0.218991D-01
               171           172           173           174           175 
      1  -0.312668D+01  0.310055D+01  0.148842D+01 -0.253861D+01  0.123507D+01
      2  -0.218991D-01  0.148842D+01  0.185486D+01 -0.197818D+01  0.140226D+01
      3  -0.608223D+01 -0.253861D+01 -0.197818D+01  0.325843D+01 -0.154741D+01
               176           177           178           179           180 
      1   0.140226D+01 -0.154741D+01 -0.143270D+01 -0.948140D+00  0.150661D+01
      2   0.229751D+01 -0.185880D+01 -0.948140D+00 -0.114677D+01  0.175165D+01
      3  -0.185880D+01  0.253139D+01  0.150661D+01  0.175165D+01 -0.397777D+01
               181           182           183           184           185 
      1   0.501387D+01  0.713995D+00  0.123395D+01  0.144348D+01  0.347555D+00
      2   0.713995D+00  0.669844D+00 -0.448841D-01  0.347555D+00 -0.396315D+00
      3   0.123395D+01 -0.448841D-01  0.318220D+01  0.112091D-01  0.693302D+00
               186           187           188           189           190 
      1   0.112091D-01  0.124424D+01  0.353489D+00  0.181195D+01 -0.385605D+00
      2   0.693302D+00  0.353489D+00  0.877368D+00  0.323976D+00 -0.759595D+00
      3   0.127234D+01  0.181195D+01  0.323976D+00  0.190582D+01  0.875219D+00
               191           192           193           194           195 
      1  -0.759595D+00  0.875219D+00 -0.115885D+01 -0.101817D+01  0.389295D+00
      2  -0.368349D+00  0.100986D+00 -0.101817D+01 -0.814243D+01  0.314766D+01
      3   0.100986D+00 -0.465725D+00  0.389295D+00  0.314766D+01 -0.264675D+01
               196           197           198           199           200 
      1   0.407061D+00  0.730678D-01 -0.323874D+00 -0.460298D+01  0.829556D+00
      2   0.730678D-01  0.109260D+01 -0.117279D+01  0.829556D+00 -0.110215D+01
      3  -0.323874D+00 -0.117279D+01  0.928543D+00  0.348938D+01 -0.333632D+00
               201           202           203           204           205 
      1   0.348938D+01  0.188585D+01 -0.992001D+00 -0.119431D+01  0.244194D+01
      2  -0.333632D+00 -0.992001D+00  0.281280D+00  0.112378D+01 -0.429989D+00
      3  -0.394577D+01 -0.119431D+01  0.112378D+01  0.201980D+01 -0.259997D+01
               206           207           208           209           210 
      1  -0.429989D+00 -0.259997D+01 -0.885901D+00  0.546746D+00 -0.118650D+01
      2   0.787679D+00  0.694940D+00  0.546746D+00 -0.353103D-01 -0.319286D-01
      3   0.694940D+00  0.379164D+01 -0.118650D+01 -0.319286D-01 -0.143291D+01
               211           212           213           214           215 
      1   0.122041D+01 -0.241180D+00  0.137982D+00 -0.259018D+01 -0.517855D+00
      2  -0.241180D+00 -0.240271D+00 -0.722230D+00 -0.517855D+00 -0.114808D+01
      3   0.137982D+00 -0.722230D+00  0.805382D+00 -0.239373D+01  0.267565D+00
               216           217           218           219           220 
      1  -0.239373D+01 -0.806941D+01  0.700064D+00  0.212923D+01  0.331858D+01
      2   0.267565D+00  0.700064D+00 -0.100787D+01 -0.236752D+00 -0.122296D+01
      3  -0.660823D+01  0.212923D+01 -0.236752D+00 -0.151395D+01 -0.566142D+00
               221           222           223           224           225 
      1  -0.122296D+01 -0.566142D+00  0.439127D+01 -0.335152D-01 -0.199551D+01
      2   0.156808D+00  0.544533D+00 -0.335152D-01  0.929625D+00  0.398554D+00
      3   0.544533D+00  0.903369D+00 -0.199551D+01  0.398554D+00  0.136272D+01
               226           227           228           229           230 
      1  -0.736361D+00 -0.752045D+00  0.389128D+00 -0.232221D+01 -0.289517D+01
      2  -0.752045D+00 -0.289333D+00  0.388224D-01 -0.289517D+01 -0.908715D+01
      3   0.389128D+00  0.388224D-01 -0.432184D-01 -0.990664D-01  0.243454D+00
               231           232           233           234 
      1  -0.990664D-01  0.897652D+00  0.313762D+00 -0.569899D+00
      2   0.243454D+00  0.313762D+00  0.802116D+00 -0.865694D+00
      3  -0.106307D+01 -0.569899D+00 -0.865694D+00 -0.880831D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133930D+01  0.142082D+01  0.300919D+00  0.249062D+01  0.873630D+01
      2   0.315427D+01 -0.181324D+01 -0.318143D+01  0.828517D+00  0.942059D+01
      3  -0.265269D+01 -0.495154D+01  0.125773D+01  0.177869D+01 -0.433416D+02
                 6             7             8             9            10 
      1  -0.161488D+01  0.968115D+00  0.470135D+01  0.401944D+00 -0.913293D+00
      2   0.935651D+01 -0.978257D+01  0.147185D+02  0.159384D+02 -0.661269D+00
      3  -0.121207D+02  0.199807D+01 -0.896648D+01 -0.142492D+02  0.337648D+01
                11            12            13            14            15 
      1  -0.675241D+01 -0.371752D+01 -0.365184D+01 -0.154372D+02  0.503191D+00
      2   0.238699D+01  0.282854D+01 -0.641082D-01 -0.408217D+01 -0.188966D+01
      3  -0.457921D+01 -0.275508D+01  0.423877D+01  0.852858D+01  0.548388D+01
                16            17            18            19            20 
      1  -0.539926D+01  0.161315D+02  0.129662D+02 -0.128973D+01 -0.160682D+01
      2  -0.759650D+00 -0.272947D+01 -0.535671D+01 -0.553518D+00  0.538361D+01
      3  -0.115452D+01  0.881832D+01  0.106277D+02  0.101178D+02 -0.670778D+01
                21            22            23            24            25 
      1  -0.434563D+00 -0.213058D+01 -0.113172D+02 -0.238721D+01 -0.265567D+01
      2   0.169429D+01  0.405611D+01 -0.110392D+02 -0.105199D+02 -0.549522D+01
      3  -0.440917D+01  0.292046D+01  0.421329D+02  0.135085D+02 -0.268285D+01
                26            27            28            29            30 
      1   0.481196D+01  0.269920D+01 -0.146177D+01 -0.530092D+01 -0.419429D+01
      2  -0.108196D+02 -0.160331D+02 -0.496850D+01 -0.852187D+01 -0.549484D+01
      3   0.129270D+02  0.114590D+02  0.102516D+02 -0.175156D+01  0.967664D+01
                31            32            33            34            35 
      1  -0.287390D+01 -0.571125D+01  0.166026D+01 -0.929753D+01  0.126097D+02
      2  -0.776460D+01 -0.266610D+01  0.364350D+01 -0.153880D+02  0.128805D+02
      3   0.125910D+02 -0.277609D+02  0.514791D+01  0.100268D+02  0.998836D+01
                36            37            38            39            40 
      1   0.886300D+01 -0.579043D+00  0.349881D+00  0.442834D+01 -0.411911D+01
      2   0.140284D+02  0.787637D+01  0.308404D+01  0.338520D+01 -0.290024D+01
      3  -0.404499D+01 -0.131830D+02 -0.817639D+01 -0.893727D+00  0.775651D+01
                41            42            43            44            45 
      1   0.111158D+01 -0.108366D+02  0.717461D+01  0.519625D+00  0.450552D+01
      2   0.263287D+01 -0.446603D+01 -0.893870D+01 -0.400857D+01  0.431488D+01
      3   0.148538D+01  0.276269D+01  0.452605D+01 -0.861305D-01 -0.637437D+01
                46            47            48            49            50 
      1   0.404775D+01 -0.721344D-01 -0.206062D+01 -0.787493D+00 -0.128474D+01
      2  -0.124614D+02 -0.313640D+01  0.650733D+01  0.651010D+00 -0.154909D+01
      3   0.111396D+02 -0.453542D+01 -0.147620D+01 -0.238479D+01 -0.141985D+02
                51            52            53            54            55 
      1  -0.226034D+01 -0.216048D+01  0.677066D+01 -0.282380D+01  0.259429D+01
      2  -0.990369D+00 -0.914168D+00 -0.299483D+01  0.619106D+01  0.256367D+01
      3   0.244283D+01 -0.680706D+01  0.168959D+01  0.472776D+01 -0.360755D+01
                56            57            58            59            60 
      1   0.224588D+01  0.607504D+01  0.290636D+01  0.370873D+01 -0.657164D+01
      2   0.187027D+01  0.451612D+01  0.154498D+01  0.233622D+01 -0.328059D+01
      3  -0.567013D+01 -0.354104D+01  0.353059D+01  0.116611D+02 -0.495687D+01
                61            62            63            64            65 
      1   0.453898D+01  0.443919D+00 -0.826686D+01 -0.217291D+01  0.291602D+01
      2  -0.209678D+01 -0.254604D+01 -0.496703D+01 -0.138493D+01 -0.419451D+01
      3  -0.507781D+01 -0.607015D+01 -0.121652D+01  0.230054D+01 -0.430138D+01
                66            67            68            69            70 
      1  -0.120396D+02  0.585104D+01 -0.169218D+01  0.688010D+01 -0.101201D+02
      2   0.961615D+01 -0.114015D+01 -0.422500D+01  0.135732D+02  0.282418D+01
      3   0.622855D+01 -0.156767D+01 -0.189622D+01 -0.134055D+01  0.471881D+01
                71            72            73            74            75 
      1   0.752425D+01  0.268767D+01 -0.182446D+01  0.336539D+00 -0.288150D+01
      2   0.852775D+01  0.409957D+01 -0.567535D+00  0.107093D+01  0.564113D+01
      3   0.627473D+00  0.105045D+01  0.507357D+01 -0.195020D+01  0.134798D+01
                76            77            78            79            80 
      1  -0.229331D+00 -0.674082D+00 -0.103755D+01 -0.185301D+01  0.265877D+01
      2  -0.168403D+00  0.284418D+01  0.277874D+01  0.519010D+00 -0.149402D+01
      3   0.119926D+01 -0.229695D+01 -0.159301D+01  0.111602D+01 -0.410020D+01
                81            82            83            84            85 
      1  -0.121087D+01  0.169591D+01  0.247617D+01 -0.334761D-02  0.538146D+00
      2   0.103612D+01 -0.707555D+00 -0.418330D+00  0.134628D+01 -0.116395D+01
      3   0.141772D+01  0.208299D+01  0.121857D+01 -0.717640D+00  0.682040D+01
                86            87            88            89            90 
      1   0.120286D+02 -0.609680D+01  0.546106D+00 -0.701622D+01  0.251290D+01
      2   0.109259D+01  0.828678D+00 -0.547381D+00  0.833171D+00  0.286015D+00
      3  -0.512716D+01 -0.504000D+00 -0.275461D+01 -0.216641D+00 -0.184105D+01
                91            92            93            94            95 
      1  -0.296934D+01  0.160909D+01  0.382090D+01  0.418969D+00 -0.383671D+00
      2   0.209874D+01 -0.109964D+01 -0.936483D+00 -0.728179D+00  0.207241D+01
      3  -0.423363D+01  0.476845D+00  0.392880D+01  0.194445D+01 -0.383415D+01
                96            97            98            99           100 
      1  -0.261983D+01  0.304078D+01 -0.401780D+01 -0.166867D+02  0.356618D+01
      2   0.744408D+00 -0.529110D+01  0.285065D+01  0.419607D+01  0.719395D+01
      3  -0.248263D+01  0.736732D+01 -0.592011D+01 -0.676156D+01 -0.121948D+02
               101           102           103           104           105 
      1   0.864559D+00  0.249725D+01  0.752625D+00  0.115532D+01 -0.141165D+00
      2   0.295226D+00  0.763481D+01  0.181129D+01  0.144312D+01  0.209664D+01
      3  -0.527576D+01 -0.370311D+01 -0.326241D+01 -0.274871D+01 -0.231017D+01
               106           107           108           109           110 
      1   0.273695D+01  0.718688D+00  0.129016D+01 -0.240072D+01  0.150069D+01
      2   0.473899D+01  0.294118D-01  0.445614D+01 -0.305124D+01  0.228993D+01
      3  -0.501429D+01 -0.359812D+01 -0.212656D+01 -0.671204D+00 -0.196901D+01
               111           112           113           114           115 
      1   0.308598D+01  0.162434D+01 -0.859087D+00 -0.325938D+01  0.539883D+01
      2   0.512826D+01  0.243884D+01 -0.384866D+01 -0.448546D+01  0.595785D+01
      3  -0.105775D+01 -0.222409D+01  0.716472D+01  0.284406D+01 -0.174710D+01
               116           117           118           119           120 
      1  -0.359735D+01 -0.117104D+02  0.592652D+00  0.181153D+01 -0.461780D+00
      2  -0.848960D+01 -0.200579D+02  0.131745D+01  0.205274D+01  0.393602D+00
      3   0.564583D+01  0.494716D+01  0.238054D+01  0.527325D+01 -0.230224D+01
               121           122           123           124           125 
      1  -0.498367D+00  0.544846D+01 -0.532151D+01  0.129813D+01 -0.406260D+01
      2   0.128247D+01  0.463989D+01 -0.438756D+01  0.440778D+00 -0.545985D+01
      3   0.377125D+00  0.275890D+02 -0.563884D+01 -0.217220D+01 -0.961378D+01
               126           127           128           129           130 
      1   0.190488D+01  0.116635D+01 -0.350792D+00 -0.160045D+00 -0.503725D+00
      2   0.208658D+01  0.936067D+00 -0.100630D+01  0.915912D+00 -0.281972D+01
      3   0.532854D+01 -0.628860D+00 -0.168980D-01 -0.121944D+00  0.549317D+01
               131           132           133           134           135 
      1   0.555619D+01 -0.233784D+01 -0.214277D+00  0.300446D+01 -0.969854D+00
      2   0.648907D+00  0.892292D-01 -0.220371D+01  0.426391D-01 -0.622067D+00
      3   0.572202D+00 -0.286990D-01  0.879706D+00  0.429927D+00  0.207364D+00
               136           137           138           139           140 
      1  -0.106846D+02  0.748412D+00  0.191335D+01  0.310673D+01  0.128863D+02
      2   0.105493D+02  0.452231D+01  0.103954D+02  0.578286D+01  0.909639D+00
      3  -0.346470D+01  0.285391D+00  0.476500D+01  0.635383D+01  0.824077D+01
               141           142           143           144           145 
      1  -0.113890D+02  0.843747D+00 -0.373308D+01 -0.259592D+01 -0.254116D+01
      2   0.147883D+01  0.573872D+01  0.312554D+01 -0.407818D+01  0.111264D+02
      3  -0.378306D+01  0.418046D+01 -0.238212D+01 -0.358858D+01 -0.129152D+02
               146           147           148           149           150 
      1   0.178318D+00  0.238811D+01 -0.584179D+00 -0.339798D+01 -0.385068D+01
      2  -0.120211D+01 -0.486550D+01 -0.273935D+01  0.264750D+01  0.540185D+01
      3   0.255914D+01  0.382533D+01  0.117222D+02  0.206792D+02 -0.248862D+01
               151           152           153           154           155 
      1   0.393377D+01  0.560345D+00  0.732258D+01 -0.117139D+01  0.537278D+00
      2  -0.132506D+02  0.391715D+01 -0.153805D+02 -0.122595D+01  0.727054D+00
      3   0.500739D+01 -0.291039D+01 -0.751756D+01 -0.731045D+01 -0.144933D+01
               156           157           158           159           160 
      1   0.270192D+01  0.397679D+00 -0.150140D+01 -0.312530D+01  0.130598D+01
      2   0.344824D+01  0.353975D+00 -0.983749D+00 -0.212145D+01 -0.899650D-02
      3   0.293613D+00  0.376445D+01  0.873426D+00  0.627995D+00  0.561892D+00
               161           162           163           164           165 
      1  -0.349629D+00  0.398462D+00  0.320992D+01  0.370885D+01  0.412316D+01
      2  -0.826179D+00  0.139208D+00 -0.970957D+01 -0.120140D+01 -0.340930D+01
      3   0.115583D+01 -0.381864D+00 -0.301314D+01 -0.260135D+01 -0.232220D+01
               166           167           168           169           170 
      1   0.165356D+01  0.175561D+01  0.504128D+00  0.364207D+01  0.340492D+01
      2  -0.190481D+01 -0.597281D+00 -0.164958D+01 -0.699781D+01 -0.157280D+01
      3   0.669022D+00 -0.561073D-01 -0.613170D+00 -0.165768D+01 -0.183969D+01
               171           172           173           174           175 
      1   0.343293D+01 -0.145545D+01 -0.437645D+01  0.495352D+00 -0.244199D+01
      2  -0.256752D+01  0.915176D+01  0.343708D+01 -0.398227D+01  0.416158D+01
      3  -0.149318D+01  0.437149D+01  0.463860D+00 -0.243334D+01  0.384019D+01
               176           177           178           179           180 
      1  -0.366518D+01 -0.226346D+00  0.948421D+00  0.261937D+01 -0.556055D+00
      2   0.342192D+01 -0.379591D+01 -0.517280D+01 -0.297552D+01  0.369802D+01
      3   0.870451D+00 -0.188140D+01 -0.247770D+01 -0.278114D+00  0.207760D+01
               181           182           183           184           185 
      1   0.538664D+01  0.304974D+01  0.140783D+01  0.244219D+01  0.706800D+00
      2  -0.190216D+02 -0.316085D+01 -0.235120D+01 -0.546973D+01 -0.162188D+01
      3  -0.253211D+01 -0.132901D+01 -0.135032D+01  0.860711D+00 -0.240836D+00
               186           187           188           189           190 
      1   0.115188D+01  0.241579D+01  0.340465D+01  0.212923D+01 -0.346095D+00
      2  -0.402980D+00 -0.544248D+01 -0.176490D+01 -0.564218D+01 -0.632233D+00
      3   0.773085D-01 -0.114683D+01 -0.852948D+00 -0.187331D+00 -0.667591D+00
               191           192           193           194           195 
      1  -0.754829D+00 -0.564942D+00 -0.166553D+01 -0.153243D+02  0.618820D+00
      2   0.103603D+01 -0.271903D+00  0.291133D+01 -0.210655D+01  0.278604D+01
      3  -0.638563D+00 -0.519635D+00  0.303967D+01 -0.944670D+01  0.362380D+01
               196           197           198           199           200 
      1  -0.386925D-01  0.298197D+01 -0.160606D+01  0.521647D+01 -0.436616D+01
      2  -0.145717D+01  0.855216D+00 -0.478752D+00  0.604159D+01 -0.182394D+01
      3  -0.468290D+00  0.131549D+01 -0.107351D+01  0.420435D+01 -0.415471D+01
               201           202           203           204           205 
      1  -0.399403D+01 -0.282173D+01  0.236042D+01  0.290046D+01 -0.341937D+01
      2   0.324529D+00 -0.290797D+01  0.204948D-01 -0.131488D+01 -0.452878D+01
      3  -0.332610D+01 -0.154467D+01  0.185855D+01  0.236974D+01 -0.248270D+01
               206           207           208           209           210 
      1   0.380753D+01  0.475981D+01 -0.199122D+01  0.112898D+00 -0.120247D+01
      2   0.110209D+00 -0.822523D-01  0.323479D+01  0.938265D+00  0.372337D+01
      3   0.222137D+01  0.321241D+01  0.228559D+01 -0.111655D+01  0.102200D+01
               211           212           213           214           215 
      1  -0.138317D+00 -0.939460D+00  0.100223D+01 -0.133838D+01  0.401027D+01
      2   0.157863D+01  0.230227D+01 -0.335862D+01  0.127645D+01 -0.256696D+01
      3  -0.535342D+00  0.177459D+00 -0.215090D+01  0.862226D+00 -0.398244D+01
               216           217           218           219           220 
      1  -0.827234D+01  0.220094D+01 -0.594820D+00 -0.142140D+01 -0.422971D+00
      2   0.199922D+02 -0.883089D+01  0.120596D+01  0.839805D+01  0.260404D+01
      3   0.386990D+01  0.113816D+02 -0.629960D+01 -0.329466D+01 -0.536688D+01
               221           222           223           224           225 
      1   0.793327D+00 -0.227919D+00 -0.195777D+01  0.114795D+01  0.786835D+00
      2  -0.211498D+01 -0.380495D+01  0.591883D+01 -0.129160D+01 -0.555430D+01
      3   0.258196D+01  0.225501D+01 -0.470457D+01  0.416793D+01  0.356120D+01
               226           227           228           229           230 
      1   0.784790D+00  0.308665D+00 -0.102026D+00  0.456292D+00  0.357535D+01
      2  -0.123768D+01 -0.357098D+00  0.125492D+01 -0.234405D+00 -0.159796D+01
      3  -0.174890D+01 -0.157205D+01 -0.487658D+00 -0.204220D+01 -0.236111D+02
               231           232           233           234 
      1  -0.457642D+01 -0.480084D+00 -0.285813D+00  0.403726D+00
      2   0.369026D+01  0.888655D+00  0.179241D+01  0.127779D+00
      3   0.978974D+00 -0.896566D+00  0.183023D+01 -0.163054D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145868D+02  0.375709D+01 -0.153099D+01  0.498242D+01 -0.267208D+02
      2   0.960665D+01 -0.759715D+00  0.206198D+01  0.162302D+01  0.324992D+02
      3   0.498014D+01 -0.299738D+01 -0.530996D+00 -0.660544D+01 -0.577843D+01
      4  -0.538069D+01  0.863651D+00 -0.116047D+02 -0.270663D+01  0.517950D+02
      5  -0.159932D+02 -0.752556D+01 -0.564145D+01 -0.106801D+02  0.561718D+01
      6  -0.536846D+01 -0.761905D+01 -0.523010D+01 -0.430174D+01  0.772554D+01
                 6             7             8             9            10 
      1  -0.117082D+02 -0.377275D+01 -0.146516D+02 -0.187195D+02  0.133153D+01
      2   0.949796D+01  0.211154D+01  0.173077D+01  0.249762D+01  0.290165D+01
      3   0.221027D+01  0.166121D+01  0.129208D+02  0.162219D+02 -0.423319D+01
      4   0.526166D+01 -0.198352D+02  0.135555D+01  0.125583D+02 -0.167092D+01
      5   0.512098D+01 -0.388841D+01  0.836381D+01  0.988313D+01  0.199090D+01
      6   0.732963D+01 -0.305889D+01  0.114939D+02  0.595709D+01  0.227159D+01
                11            12            13            14            15 
      1  -0.410911D+01 -0.979745D+01  0.153321D+01  0.373363D+02  0.212675D+01
      2  -0.402449D+01  0.956412D+01 -0.570075D+01 -0.556638D+02  0.656496D+01
      3   0.813360D+01  0.233326D+00  0.416753D+01  0.183274D+02 -0.869171D+01
      4   0.454306D+01  0.457887D+01  0.740767D+01 -0.180228D+02  0.448191D+01
      5   0.187792D+01 -0.878729D+00  0.296568D+01  0.410392D+00  0.232730D+01
      6   0.146571D+02  0.122789D+02  0.668575D+01  0.497427D+01 -0.583994D+01
                16            17            18            19            20 
      1  -0.986717D+01 -0.734851D+00  0.196552D+02  0.135181D+02 -0.114962D+01
      2   0.644294D+01  0.213808D+02 -0.644607D+01 -0.114734D+02 -0.171095D+01
      3   0.342424D+01 -0.206459D+02 -0.132091D+02 -0.204472D+01  0.286057D+01
      4   0.444520D+01  0.888860D+01  0.374617D+01 -0.451576D+01  0.580397D+01
      5   0.264808D+00  0.496454D+01  0.573220D+01  0.171270D+00  0.770920D+01
      6   0.119156D+02 -0.182337D+02 -0.248217D+02 -0.293250D+01 -0.541572D+01
                21            22            23            24            25 
      1   0.356906D+01  0.110080D+01  0.119409D+02  0.103982D+02 -0.228811D+01
      2  -0.277483D+01 -0.218835D+01 -0.831134D+01 -0.151497D+01 -0.430247D+00
      3  -0.794236D+00  0.108754D+01 -0.362958D+01 -0.888325D+01  0.271836D+01
      4   0.491369D+01  0.103890D+01 -0.536339D+02 -0.157131D+02 -0.148287D+01
      5   0.539531D+01  0.349410D+01 -0.111255D+02 -0.964283D+01  0.119562D+02
      6  -0.172426D+00 -0.157914D+01 -0.840751D+01 -0.141769D+01 -0.854789D+00
                26            27            28            29            30 
      1   0.100363D+02  0.107596D+02 -0.315080D+02 -0.256038D+01 -0.151209D+02
      2  -0.988573D+01 -0.122831D+02  0.243586D+02 -0.539422D+01  0.972126D+01
      3  -0.150555D+00  0.152346D+01  0.714939D+01  0.795460D+01  0.539969D+01
      4  -0.155786D+02 -0.136427D+02 -0.388835D+01  0.261881D+01 -0.975309D+01
      5  -0.113568D+02 -0.144005D+02 -0.110956D+02 -0.135191D+02 -0.152645D+02
      6   0.322813D+01 -0.558444D+01  0.214266D+01  0.773518D+01  0.624352D+01
                31            32            33            34            35 
      1  -0.147610D+02  0.117477D+02 -0.158490D+02 -0.176593D+02 -0.202527D+02
      2   0.629224D+01 -0.236444D+02  0.151583D+02  0.733838D+01  0.237324D+02
      3   0.846878D+01  0.118967D+02  0.690670D+00  0.103209D+02 -0.347970D+01
      4  -0.280718D+01  0.361881D+02  0.190291D+01 -0.119587D+02  0.366884D+00
      5  -0.128982D+02 -0.404858D+01  0.938251D+01 -0.251767D+02  0.232263D+02
      6   0.260095D+01  0.114522D+02 -0.719618D+01  0.117259D+02 -0.160362D+02
                36            37            38            39            40 
      1  -0.132642D+02 -0.109723D+02 -0.378532D+01  0.127651D+01 -0.111254D+02
      2   0.978824D+01  0.789056D+01  0.323110D+01 -0.209052D+01  0.498328D+00
      3   0.347594D+01  0.308173D+01  0.554216D+00  0.814008D+00  0.106271D+02
      4   0.204761D+02  0.499175D+01  0.242951D+01  0.490317D+01  0.127447D+01
      5   0.290498D+02  0.393990D+01  0.177797D+00  0.401197D+00 -0.738361D+00
      6  -0.157982D+02  0.688927D+01  0.603729D+00  0.253388D+01 -0.405196D+00
                41            42            43            44            45 
      1   0.187383D+02  0.358339D+01  0.746633D+01  0.102855D+02  0.103198D+01
      2  -0.106160D+02 -0.898477D+01 -0.204935D+01 -0.123755D+02  0.384186D+01
      3  -0.812233D+01  0.540138D+01 -0.541699D+01  0.209002D+01 -0.487385D+01
      4  -0.595630D+01 -0.136305D+01  0.846685D+01 -0.297745D+00  0.152663D+01
      5   0.127057D+01  0.463452D+01 -0.387532D+01  0.130158D+01 -0.528972D+00
      6  -0.114751D+02 -0.165001D+02 -0.661462D+00 -0.991554D+01  0.367433D+01
                46            47            48            49            50 
      1  -0.198963D+00 -0.730097D+01 -0.126582D+02 -0.947202D+01 -0.281352D+01
      2  -0.590707D+01  0.153725D+01  0.945263D+01  0.734258D+01  0.184414D+01
      3   0.610604D+01  0.576372D+01  0.320561D+01  0.212944D+01  0.969382D+00
      4  -0.127731D+02  0.207461D+01 -0.862312D+01  0.422206D+01  0.166209D+02
      5  -0.149101D+02 -0.448135D+01  0.615733D+01  0.399957D+00 -0.557984D+01
      6  -0.909956D+01 -0.891290D-01  0.188403D+01 -0.367506D+00 -0.339129D+01
                51            52            53            54            55 
      1  -0.529795D+01 -0.175068D+02 -0.780970D+01  0.897115D+01 -0.805559D+01
      2  -0.111513D+01  0.961248D+01  0.365637D+01 -0.430304D+01 -0.519896D+01
      3   0.641308D+01  0.789435D+01  0.415333D+01 -0.466810D+01  0.132545D+02
      4  -0.733057D+01 -0.787436D+01 -0.746530D+01  0.230616D+01  0.193572D+02
      5  -0.376532D+01  0.846898D+01 -0.670191D+00  0.442715D+01  0.735969D-01
      6   0.591038D+01  0.510816D+01 -0.332900D+00  0.243828D+01  0.123181D+01
                56            57            58            59            60 
      1   0.642856D+01  0.317239D+01  0.386577D+01 -0.123721D+02  0.320915D+01
      2   0.519200D+01 -0.976338D+01  0.359140D+01  0.965072D+01 -0.157137D+01
      3  -0.116206D+02  0.659099D+01 -0.745716D+01  0.272139D+01 -0.163778D+01
      4  -0.222831D+02  0.173756D+01 -0.196718D+02  0.551364D+01  0.301190D+01
      5   0.195576D+01  0.624956D+00 -0.988321D+00  0.222608D+01  0.364807D+00
      6  -0.914371D+01 -0.537561D+01 -0.563761D+01  0.274754D+01  0.117814D+00
                61            62            63            64            65 
      1   0.107307D+01  0.605545D+01  0.180510D+01  0.707420D+01  0.800913D+01
      2  -0.590991D+01 -0.761681D+01  0.771805D+01  0.622124D+01  0.161114D+01
      3   0.483684D+01  0.156136D+01 -0.952315D+01 -0.132954D+02 -0.962027D+01
      4   0.393958D+01  0.387349D+01 -0.790374D+01 -0.418089D+01 -0.888082D-01
      5   0.294730D+01 -0.243204D+01 -0.147503D+01 -0.333087D+01  0.314144D+01
      6  -0.556454D+01  0.519294D+01  0.629379D+01  0.628648D+01  0.134829D+02
                66            67            68            69            70 
      1  -0.288045D+01  0.114727D+02 -0.306992D+01 -0.152031D+01  0.517666D+00
      2   0.142135D+02  0.419886D+01 -0.221231D+01 -0.224423D+01  0.107477D+02
      3  -0.113331D+02 -0.156716D+02  0.528222D+01  0.376453D+01 -0.112653D+02
      4   0.220231D+01  0.268470D+01 -0.291197D+01  0.841094D+01 -0.256607D+01
      5  -0.171171D+02  0.168734D+01  0.566857D+01 -0.132274D+02 -0.128105D+02
      6  -0.102218D+02  0.126695D+02 -0.534417D+01  0.553352D+01 -0.471133D+01
                71            72            73            74            75 
      1  -0.612957D+01 -0.505125D+01  0.337159D+02  0.935857D+01  0.101647D+02
      2   0.396249D+01 -0.198573D+01 -0.186198D+02 -0.420459D+01 -0.886595D+01
      3   0.216709D+01  0.703697D+01 -0.150961D+02 -0.515398D+01 -0.129871D+01
      4   0.466365D+01 -0.249234D+00  0.263329D+02  0.145886D+02  0.114361D+02
      5  -0.606583D+01 -0.462451D+01  0.227931D+02  0.894758D+01  0.163648D+02
      6   0.708325D-01  0.718225D+00  0.768097D+01  0.508435D+01  0.579205D+01
                76            77            78            79            80 
      1   0.467034D+01  0.389973D+00 -0.532514D+00  0.112419D+02  0.317188D+01
      2  -0.706884D+00  0.240767D+01  0.468053D+00 -0.800351D+01  0.941543D+00
      3  -0.396346D+01 -0.279764D+01  0.644607D-01 -0.323839D+01 -0.411342D+01
      4   0.125345D+02  0.118493D+02  0.834517D+01  0.134047D+02  0.127021D+02
      5   0.590804D+01  0.755968D+01  0.629280D+01  0.147694D+02  0.529090D+01
      6   0.462792D+01  0.639004D+01  0.549625D+01  0.591296D+01  0.474875D+01
                81            82            83            84            85 
      1   0.547154D+01 -0.132301D+01 -0.453917D+01  0.439955D+00 -0.183069D+01
      2  -0.548758D+01  0.669588D+01  0.116382D+02 -0.635529D+00  0.710122D+01
      3   0.160382D-01 -0.537287D+01 -0.709907D+01  0.195574D+00 -0.527052D+01
      4   0.790954D+01  0.565658D+01  0.132446D+02 -0.162337D+01  0.811879D+01
      5   0.104969D+02 -0.237214D+00  0.283300D+00  0.205105D+01 -0.156027D+00
      6   0.496913D+01 -0.164911D+01 -0.111312D+01 -0.773354D-01 -0.537187D+00
                86            87            88            89            90 
      1  -0.438270D+02  0.226204D+01  0.133357D+01  0.117015D+02 -0.733896D+01
      2   0.789637D+02 -0.621100D+01 -0.218577D+01 -0.233575D+02  0.813005D+01
      3  -0.351367D+02  0.394895D+01  0.852202D+00  0.116560D+02 -0.791088D+00
      4   0.193584D+02 -0.199311D+01 -0.332074D+01 -0.575617D+01  0.215392D+01
      5   0.397938D-01  0.681633D+00  0.143367D+01  0.868565D+00 -0.142649D+01
      6  -0.526501D+01  0.842894D+01 -0.496664D+00  0.136931D+02 -0.255197D+01
                91            92            93            94            95 
      1  -0.208942D+01  0.345060D+01  0.516925D+01  0.140203D+01 -0.137182D+02
      2  -0.148512D+01 -0.200787D+01 -0.203264D+01 -0.145008D+01  0.147272D+02
      3   0.357454D+01 -0.144273D+01 -0.313661D+01  0.480426D-01 -0.100906D+01
      4  -0.328323D+01  0.459562D+01  0.469152D+01  0.133037D+01  0.102565D+01
      5  -0.297376D+01  0.320835D+01  0.648877D+01  0.811162D+00 -0.787725D+00
      6   0.579324D+01 -0.642870D+01 -0.801865D+01 -0.314267D+01  0.110277D+02
                96            97            98            99           100 
      1  -0.805965D+01  0.674000D+01 -0.171025D+02 -0.262475D+02  0.663474D+02
      2   0.598449D+01 -0.152583D+01  0.766724D+01  0.149964D+01 -0.369408D+02
      3   0.207516D+01 -0.521416D+01  0.943525D+01  0.247479D+02 -0.294066D+02
      4  -0.123822D+01  0.366870D+01 -0.181250D+01 -0.199172D+01 -0.966024D+01
      5  -0.946325D+00  0.556961D+01 -0.271456D+01 -0.391936D+01  0.163482D+02
      6   0.125625D+02 -0.736531D+01  0.254017D+02  0.372304D+02 -0.515426D+01
               101           102           103           104           105 
      1   0.213809D+01  0.151267D+02  0.194993D+02  0.379362D+01  0.459984D+01
      2  -0.287458D+01 -0.931677D+01 -0.115995D+02 -0.113928D+01 -0.414696D+01
      3   0.736492D+00 -0.580997D+01 -0.789975D+01 -0.265435D+01 -0.452885D+00
      4   0.812662D+01 -0.197466D+01  0.456883D+01  0.334848D+01  0.261946D+01
      5   0.293879D+00  0.140612D+02  0.467231D+01  0.318438D+01  0.385918D+01
      6   0.286709D-01 -0.458228D+01 -0.557447D+00 -0.824922D+00  0.709142D+00
               106           107           108           109           110 
      1   0.252891D+02  0.102273D+01  0.113521D+02  0.139460D+02 -0.488271D+01
      2  -0.155956D+02 -0.308544D+01 -0.933538D+01 -0.982543D+01  0.311653D+01
      3  -0.969349D+01  0.206271D+01 -0.201668D+01 -0.412061D+01  0.176617D+01
      4  -0.458277D+01  0.517288D+01 -0.273144D+01 -0.860050D+01  0.590526D+01
      5   0.169932D+02 -0.928970D+00  0.965843D+01 -0.118359D+02  0.728917D+01
      6  -0.429160D+01  0.240771D+01 -0.175232D+01  0.499381D+01 -0.354029D+01
               111           112           113           114           115 
      1  -0.755275D+01 -0.162539D+01 -0.561674D+00  0.133432D+01 -0.154173D+02
      2   0.527862D+01 -0.511712D+00  0.473487D+01  0.210960D+00  0.114206D+02
      3   0.227413D+01  0.213711D+01 -0.417319D+01 -0.154528D+01  0.399677D+01
      4   0.798967D+01  0.102932D+02 -0.160964D+02 -0.944678D+01  0.191778D+02
      5   0.146341D+02  0.626864D+01 -0.858135D+01 -0.935952D+01  0.256327D+02
      6  -0.534408D+01 -0.412844D+01  0.515892D+01  0.944602D+01 -0.111181D+02
               116           117           118           119           120 
      1   0.617995D+01  0.402947D+01 -0.119892D+01 -0.843278D+01  0.385989D+01
      2  -0.424377D+01 -0.132763D+02  0.179603D+01  0.102612D+02 -0.225071D+01
      3  -0.193618D+01  0.924681D+01 -0.597113D+00 -0.182838D+01 -0.160918D+01
      4  -0.194999D+02 -0.195725D+02  0.237336D+00 -0.201191D+01 -0.615334D-01
      5  -0.213198D+02 -0.433853D+02  0.186868D+01  0.143690D+01  0.123589D+01
      6   0.157954D+02  0.234031D+02 -0.188765D+01 -0.280151D+01  0.131489D+01
               121           122           123           124           125 
      1  -0.762421D+01 -0.203381D+02  0.713386D+01  0.541125D+01  0.970760D+01
      2   0.701936D+00  0.423163D+02 -0.923076D+01 -0.121867D+01 -0.151178D+02
      3   0.692227D+01 -0.219783D+02  0.209691D+01 -0.419258D+01  0.541021D+01
      4   0.141896D+02 -0.427955D+02  0.664534D+01 -0.371074D+01  0.131660D+02
      5   0.227702D+00  0.960607D+01 -0.843151D+01  0.596446D+01 -0.119646D+02
      6   0.186247D+01 -0.149494D+02  0.963885D+01 -0.302159D+01  0.139655D+02
               126           127           128           129           130 
      1  -0.344418D+01  0.315248D+00 -0.690419D+00 -0.163781D+00  0.577133D+00
      2   0.396783D+01  0.200160D+01  0.366769D+00  0.325260D+00 -0.144282D+01
      3  -0.523652D+00 -0.231685D+01  0.323650D+00 -0.161479D+00  0.865682D+00
      4  -0.934435D+01 -0.621053D+00  0.716284D+01  0.198089D+01  0.684011D+01
      5   0.216930D+01 -0.898093D+00  0.322130D+01  0.340301D+01  0.330165D+01
      6  -0.543683D+01  0.374628D+01 -0.350634D+00  0.707789D+00 -0.290946D+01
               131           132           133           134           135 
      1  -0.209740D+02 -0.100029D+02  0.347527D+00 -0.865259D+01 -0.968204D+01
      2   0.253504D+02  0.749284D+01  0.300755D+00  0.637897D+01  0.192601D+01
      3  -0.437641D+01  0.251002D+01 -0.648282D+00  0.227362D+01  0.775603D+01
      4  -0.162513D+01 -0.125800D+01  0.190099D+01 -0.123501D+01  0.203115D+00
      5  -0.200556D+01 -0.110195D+01  0.283570D+01 -0.841866D+00 -0.186386D+01
      6   0.239888D+02  0.157288D+02 -0.945014D+00  0.145538D+02  0.108717D+02
               136           137           138           139           140 
      1   0.529886D+01  0.622339D+01  0.102321D+02  0.867112D+01  0.121060D+02
      2   0.147062D+02 -0.469466D+01 -0.982585D+01 -0.907174D+01 -0.167024D+02
      3  -0.200051D+02 -0.152873D+01 -0.406236D+00  0.400619D+00  0.459641D+01
      4   0.902960D+01  0.277164D+01  0.193169D+01  0.474416D+00 -0.140146D+02
      5   0.116794D+02 -0.736275D+01 -0.194104D+02 -0.108088D+02  0.549636D+01
      6  -0.522527D+01  0.264065D+01  0.309894D+01  0.479454D+01  0.252082D+02
               141           142           143           144           145 
      1  -0.170571D+01  0.983233D+01  0.157682D+01 -0.143975D+02 -0.131104D+02
      2   0.148211D+02 -0.841288D+01  0.876753D+01  0.131875D+01  0.117119D+02
      3  -0.131154D+02 -0.141944D+01 -0.103444D+02  0.130788D+02  0.139852D+01
      4   0.617574D+01  0.322732D+01  0.437685D+01  0.170196D+01  0.203152D+02
      5   0.772385D+01 -0.184583D+02  0.443805D+01  0.263849D+01  0.231866D+02
      6  -0.825559D+01  0.128877D+01 -0.280883D+01 -0.112143D+02  0.677523D+01
               146           147           148           149           150 
      1   0.170640D+02  0.219808D+02  0.267920D+02  0.112573D+02 -0.310491D+01
      2  -0.994814D+01 -0.101679D+02 -0.195910D+02 -0.251601D+02  0.324016D+01
      3  -0.711590D+01 -0.118129D+02 -0.720098D+01  0.139028D+02 -0.135249D+00
      4   0.308082D+01  0.353080D+01 -0.323370D+01 -0.307051D+02  0.615457D+01
      5   0.135566D+01 -0.853416D+01 -0.902370D+00  0.563124D+01  0.933932D+01
      6   0.875548D+00 -0.176920D+01  0.428678D+00 -0.543061D+00  0.293163D+01
               151           152           153           154           155 
      1   0.273271D+02 -0.215573D+01 -0.116364D+02  0.207712D+02 -0.770613D+01
      2  -0.110831D+02  0.316317D+01  0.138193D+02  0.911606D-01 -0.777551D+01
      3  -0.162440D+02 -0.100744D+01 -0.218294D+01 -0.208624D+02  0.154816D+02
      4   0.281526D+01  0.665911D+01  0.568436D+01 -0.317918D+02  0.272151D+02
      5  -0.136276D+02  0.715106D+01 -0.224789D+02  0.270702D+01 -0.242473D+01
      6  -0.334590D+01  0.365747D+01 -0.687456D+01 -0.310327D+01  0.333930D+01
               156           157           158           159           160 
      1  -0.627842D+00 -0.391301D+01 -0.218149D+00  0.133579D-01 -0.658121D+00
      2   0.968010D+00 -0.852405D+01  0.161211D+02  0.820529D+00  0.632855D+00
      3  -0.340168D+00  0.124371D+02 -0.159029D+02 -0.833887D+00  0.252664D-01
      4  -0.927148D+00  0.222444D+02 -0.242215D+02  0.158418D+00 -0.276150D+00
      5   0.543412D+01 -0.175677D+01  0.127562D+01 -0.224564D+01  0.543231D+01
      6  -0.318830D+01  0.253242D+01 -0.297533D+01  0.472123D+01 -0.355644D+01
               161           162           163           164           165 
      1  -0.392279D-01  0.936008D-01  0.254595D+01  0.980186D+00 -0.462290D+01
      2   0.145411D+01  0.414232D+00 -0.128533D+02 -0.195779D+01 -0.144418D+02
      3  -0.141488D+01 -0.507833D+00  0.103074D+02  0.977606D+00  0.190647D+02
      4  -0.398686D+00 -0.460697D+01 -0.150384D+01  0.335571D+01 -0.206865D+01
      5  -0.366119D+01  0.304262D+00  0.182188D+02  0.598306D+00  0.190314D+02
      6   0.567775D+01 -0.209869D+01 -0.356589D+01  0.266553D+01 -0.393310D+01
               166           167           168           169           170 
      1  -0.126962D+01 -0.915111D+00 -0.132927D+01 -0.232432D+01  0.875439D+00
      2  -0.227327D+01 -0.219938D+01 -0.311675D+01 -0.115284D+02 -0.129761D+01
      3   0.354289D+01  0.311449D+01  0.444602D+01  0.138527D+02  0.422168D+00
      4   0.253276D+01  0.291387D+00  0.154951D+01 -0.117103D+01  0.204952D+01
      5   0.166599D+01  0.322086D+01  0.291712D+01  0.162082D+02  0.158568D+01
      6   0.186373D+01  0.115622D+01  0.503771D+01 -0.164202D+01  0.506308D+01
               171           172           173           174           175 
      1  -0.127544D+02 -0.237540D+01 -0.589944D+01  0.865167D+01 -0.437699D+01
      2  -0.198526D+02 -0.335783D+01  0.118871D+01  0.350294D+01  0.517098D+00
      3   0.326070D+02  0.573323D+01  0.471073D+01 -0.121546D+02  0.385989D+01
      4  -0.190999D+01  0.616445D+01  0.520635D+01 -0.542012D+01  0.475941D+01
      5   0.207538D+02 -0.128576D+02 -0.633761D+01  0.133753D+02 -0.599937D+01
      6  -0.570028D+01 -0.901748D+01 -0.111375D+02  0.126264D+02 -0.827721D+01
               176           177           178           179           180 
      1  -0.844484D+01  0.902967D+01  0.409047D+01  0.664135D+01 -0.117994D+02
      2   0.629650D+01  0.537993D-01  0.174259D+01  0.268641D+00 -0.625925D+01
      3   0.214833D+01 -0.908346D+01 -0.583306D+01 -0.690999D+01  0.180586D+02
      4   0.396130D+01 -0.376321D+01 -0.249950D+01 -0.277611D+01  0.313543D+01
      5  -0.570177D+01  0.638560D+01  0.921090D+01  0.448669D+01 -0.835564D+01
      6  -0.124988D+02  0.133720D+02  0.641575D+01  0.970025D+01 -0.140855D+02
               181           182           183           184           185 
      1  -0.301907D+01 -0.510579D+00 -0.119587D+02 -0.181634D+01 -0.301154D+01
      2  -0.517938D+01 -0.110937D+01 -0.512664D+01  0.204874D+00  0.102199D+01
      3   0.819845D+01  0.161995D+01  0.170854D+02  0.161146D+01  0.198955D+01
      4  -0.811404D+01 -0.552520D+00 -0.187004D+01 -0.814070D+00  0.271761D+00
      5   0.122155D+02  0.203690D+01  0.606569D+01  0.403994D+01  0.581124D+00
      6   0.172975D+01  0.371453D+01 -0.274163D+01  0.194337D+01 -0.908489D+00
               186           187           188           189           190 
      1  -0.324570D+01 -0.782936D+01 -0.111058D+01 -0.650417D+01 -0.883378D+00
      2  -0.336465D+01 -0.290590D+01 -0.114527D+01 -0.682625D+01  0.608321D+00
      3   0.661035D+01  0.107353D+02  0.225585D+01  0.133304D+02  0.275057D+00
      4  -0.575280D+00 -0.142758D+01  0.151198D+00 -0.337253D+01  0.229924D+01
      5  -0.955678D+00  0.832448D+01  0.703175D+00  0.519763D+01 -0.295007D+01
      6   0.280649D+01 -0.106597D+00  0.401759D+01  0.875503D+00 -0.287162D+01
               191           192           193           194           195 
      1   0.145106D+01 -0.114255D+01  0.523133D+00 -0.206082D+02  0.113139D+02
      2  -0.501985D-01  0.154842D+01  0.165323D+01  0.293859D+02 -0.572382D+01
      3  -0.140086D+01 -0.405865D+00 -0.217636D+01 -0.877764D+01 -0.559009D+01
      4   0.628978D+01 -0.218866D+01  0.852105D+01  0.174091D+02 -0.634391D+01
      5  -0.291375D+01  0.515082D+01 -0.482941D+01 -0.603852D+01  0.540993D+01
      6  -0.178988D+01  0.627998D+00 -0.421149D+01 -0.342374D+02  0.190387D+02
               196           197           198           199           200 
      1  -0.433636D+00  0.494467D+01 -0.441135D+01  0.139993D+02 -0.281297D+01
      2   0.125586D+01 -0.112797D+01  0.120211D+01 -0.193697D+02  0.347737D+01
      3  -0.822225D+00 -0.381670D+01  0.320923D+01  0.537044D+01 -0.664405D+00
      4  -0.745975D+00 -0.216606D+01  0.258762D+01 -0.956314D+00  0.491457D+01
      5   0.368784D+01  0.203787D+01 -0.271255D+01 -0.274502D+02  0.444989D+01
      6   0.857249D+00  0.104117D+02 -0.660797D+01  0.319638D+01 -0.606860D+01
               201           202           203           204           205 
      1  -0.300192D+01 -0.482170D+01 -0.100859D+00 -0.270991D+00 -0.277053D+01
      2   0.163274D+02  0.676740D+01 -0.101811D+01 -0.823309D+01  0.119792D+02
      3  -0.133255D+02 -0.194570D+01  0.111896D+01  0.850408D+01 -0.920869D+01
      4  -0.100451D-01  0.425034D+01 -0.256407D+01 -0.415184D+01 -0.429718D+00
      5   0.254862D+02  0.105537D+02 -0.636247D+01 -0.103391D+02  0.191868D+02
      6  -0.799826D+00 -0.524238D+01  0.214860D+01  0.614208D+01 -0.180166D+01
               206           207           208           209           210 
      1   0.536597D-01 -0.198138D+01  0.647120D+01 -0.255972D+01  0.524611D+01
      2  -0.389302D+01 -0.161517D+02 -0.680153D+01  0.139738D+01 -0.557616D+01
      3   0.383936D+01  0.181330D+02  0.330334D+00  0.116235D+01  0.330049D+00
      4  -0.281797D+01 -0.118442D+01 -0.139881D+01  0.100049D+01  0.952838D+00
      5  -0.404744D+01 -0.213146D+02  0.696269D+01 -0.580876D+00  0.124120D+02
      6   0.534428D+01  0.225399D+01  0.873397D+00  0.400537D+00  0.191434D+01
               211           212           213           214           215 
      1  -0.709407D+01 -0.123583D+01 -0.626616D+00  0.119158D+02  0.978196D+00
      2   0.455771D+01  0.142692D+01  0.193116D+01 -0.970590D+01  0.166714D+01
      3   0.253636D+01 -0.191093D+00 -0.130454D+01 -0.220987D+01 -0.264533D+01
      4   0.196067D+01  0.100697D+01  0.374350D+01  0.435446D+01  0.690550D+01
      5  -0.196467D+01  0.314802D+01 -0.453360D+01  0.190883D+02 -0.652642D+00
      6   0.589737D+00 -0.194445D+00  0.251668D+01  0.460065D+01  0.407180D+01
               216           217           218           219           220 
      1   0.324368D+01  0.595973D+02 -0.679905D+01 -0.148821D+02 -0.216537D+02
      2  -0.164322D+02 -0.321840D+02  0.494212D+01  0.837526D+01  0.124935D+02
      3   0.131885D+02 -0.274133D+02  0.185693D+01  0.650682D+01  0.916018D+01
      4   0.217388D+00 -0.645617D+00  0.834942D+01  0.500063D+00  0.894188D+01
      5   0.364333D+02 -0.151414D+02  0.157332D+01  0.126503D+02  0.454288D+01
      6   0.104268D+02 -0.323363D+01  0.184963D+00  0.269313D+01  0.300117D-02
               221           222           223           224           225 
      1   0.532307D+01  0.398757D+01 -0.277696D+02  0.156017D+01  0.111384D+02
      2  -0.511175D+00 -0.282997D+01  0.154187D+02 -0.211993D+01 -0.923193D+01
      3  -0.481190D+01 -0.115760D+01  0.123509D+02  0.559761D+00 -0.190642D+01
      4  -0.277362D+01 -0.377205D+01 -0.108436D+01 -0.644470D+01 -0.168014D+01
      5  -0.356248D+01 -0.613939D+01  0.157743D+02 -0.239194D+01 -0.105033D+02
      6   0.429187D+00  0.359994D+00  0.243958D+01  0.667290D+00 -0.114717D+01
               226           227           228           229           230 
      1   0.429113D+01  0.449803D+01 -0.234044D+01  0.648405D+01 -0.120592D+02
      2   0.655509D+00 -0.125790D+01  0.122518D+01  0.513712D+01  0.371432D+02
      3  -0.494664D+01 -0.324013D+01  0.111525D+01 -0.116212D+02 -0.250840D+02
      4   0.431616D+01  0.832901D+01 -0.488471D+00  0.209718D+02  0.463961D+02
      5  -0.202561D+01  0.324676D+00  0.173184D+01  0.118339D+01 -0.114215D+01
      6  -0.502157D+00  0.848278D-01 -0.261529D+00  0.115151D+01  0.334332D+01
               231           232           233           234 
      1   0.110454D+01 -0.459305D+01  0.690729D+00 -0.525394D+00
      2  -0.164269D+01  0.124742D+01 -0.266177D+01  0.154138D+01
      3   0.538141D+00  0.334563D+01  0.197104D+01 -0.101599D+01
      4  -0.105580D+01 -0.243513D+01 -0.408255D+01  0.398304D+01
      5   0.624872D+01  0.401427D+01  0.434478D+01  0.700822D+00
      6   0.668997D+01  0.199260D+01  0.569811D+01 -0.702722D+00
 Leave Link  716 at Fri Jul 23 18:07:14 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.119927D+03 -0.284719D+00  0.456081D+00
      2  -0.284719D+00  0.117534D+03  0.473561D+01
      3   0.456081D+00  0.473561D+01  0.105309D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.294047D+00  0.272908D+01  0.487657D+01
      2   0.369573D+01  0.157176D+02 -0.331593D+01
      3   0.751894D+01 -0.236728D+02 -0.146136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.112389D+02 -0.378529D+02  0.679525D+00
      2   0.509475D+01  0.196690D+02  0.769431D+01
      3  -0.163337D+02  0.181838D+02 -0.837383D+01
      4  -0.377100D+02  0.352731D+02  0.266269D+02
      5   0.130617D+02  0.240294D+02 -0.186109D+02
      6   0.963864D+01  0.184526D+02  0.807645D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.333760D+01  0.368022D+00 -0.137069D+01  0.176809D+01 -0.573007D+00
      2   0.368022D+00 -0.669181D+00 -0.252488D+01 -0.573007D+00  0.161108D+02
      3  -0.137069D+01 -0.252488D+01 -0.219325D+01 -0.172797D+01  0.322280D+01
                 6             7             8             9            10 
      1  -0.172797D+01 -0.923129D+00 -0.314360D+01 -0.183520D+01  0.953646D+00
      2   0.322280D+01 -0.314360D+01  0.191182D+01  0.402616D+01  0.761790D+00
      3   0.263370D+01 -0.183520D+01  0.402616D+01  0.570595D+01  0.499696D+00
                11            12            13            14            15 
      1   0.761790D+00  0.499696D+00  0.147885D+01  0.252853D+00  0.184026D+01
      2   0.892659D+00  0.318478D+01  0.252853D+00 -0.106448D+02  0.619754D+00
      3   0.318478D+01  0.269979D+01  0.184026D+01  0.619754D+00 -0.124080D+01
                16            17            18            19            20 
      1   0.861165D+00  0.297355D+01  0.282057D+01  0.198662D+01 -0.275661D+01
      2   0.297355D+01  0.230354D+01 -0.364586D+01 -0.275661D+01  0.138024D+01
      3   0.282057D+01 -0.364586D+01 -0.550014D+01 -0.507147D+00  0.108812D+01
                21            22            23            24            25 
      1  -0.507147D+00 -0.255332D+01  0.135377D+01  0.114434D+01 -0.100281D+01
      2   0.108812D+01  0.135377D+01 -0.160147D+02 -0.435821D+01  0.481453D+00
      3   0.729766D+00  0.114434D+01 -0.435821D+01 -0.368341D+01  0.136564D+01
                26            27            28            29            30 
      1   0.481453D+00  0.136564D+01 -0.432109D+01 -0.634752D+00 -0.116427D+01
      2  -0.422231D+01 -0.403466D+01 -0.634752D+00 -0.517334D+00 -0.261212D+01
      3  -0.403466D+01 -0.446581D+01 -0.116427D+01 -0.261212D+01 -0.248279D+01
                31            32            33            34            35 
      1  -0.205066D+01 -0.230192D+01 -0.248193D+01 -0.131614D+01 -0.268268D+01
      2  -0.230192D+01  0.940700D+01 -0.300958D+00 -0.268268D+01 -0.895098D+00
      3  -0.248193D+01 -0.300958D+00  0.159560D+01 -0.406015D+01  0.366750D+01
                36            37            38            39            40 
      1  -0.406015D+01  0.430585D+01  0.181604D+01 -0.244843D+01 -0.198654D+01
      2   0.366750D+01  0.181604D+01  0.855415D+00 -0.937642D+00  0.949065D-01
      3   0.456151D+01 -0.244843D+01 -0.937642D+00  0.317609D+01 -0.190135D+01
                41            42            43            44            45 
      1   0.949065D-01 -0.190135D+01 -0.531342D+01 -0.121479D+01  0.247814D+01
      2   0.391519D+01  0.377040D+01 -0.121479D+01  0.342509D+01  0.278938D+00
      3   0.377040D+01 -0.150683D+01  0.247814D+01  0.278938D+00  0.569283D+00
                46            47            48            49            50 
      1  -0.335550D+01  0.115046D+01  0.462725D+01  0.345944D+01 -0.142258D+01
      2   0.115046D+01 -0.117617D+01  0.670544D+00 -0.142258D+01 -0.709345D+01
      3   0.462725D+01  0.670544D+00 -0.159576D+01  0.965698D+00  0.162935D+01
                51            52            53            54            55 
      1   0.965698D+00  0.707594D+01  0.126241D+01 -0.151271D+01  0.217601D+01
      2   0.162935D+01  0.126241D+01  0.217552D+01  0.128143D+01 -0.352088D+01
      3   0.110396D+01 -0.151271D+01  0.128143D+01 -0.244915D+01 -0.142152D+01
                56            57            58            59            60 
      1  -0.352088D+01 -0.142152D+01 -0.335606D+01  0.434098D+01 -0.154687D+01
      2   0.403698D+01 -0.149722D+01  0.434098D+01  0.305440D+01 -0.248165D+01
      3  -0.149722D+01 -0.156768D+01 -0.154687D+01 -0.248165D+01  0.266297D+01
                61            62            63            64            65 
      1  -0.153303D+01 -0.172277D+01 -0.178862D+01  0.227162D+00 -0.875029D+00
      2  -0.172277D+01 -0.301781D+01  0.163923D+01 -0.875029D+00 -0.227346D+01
      3  -0.178862D+01  0.163923D+01  0.324323D+01  0.322794D+01  0.369319D+01
                66            67            68            69            70 
      1   0.322794D+01  0.369436D+00 -0.184895D+01  0.439261D+01  0.299935D+01
      2   0.369319D+01 -0.184895D+01  0.114059D+01 -0.118210D+01  0.282021D+01
      3   0.937294D+00  0.439261D+01 -0.118210D+01 -0.803319D+00  0.110192D+01
                71            72            73            74            75 
      1   0.282021D+01  0.110192D+01  0.761185D+01  0.253687D+01  0.319370D+01
      2  -0.653867D+00 -0.133112D+01  0.253687D+01  0.131764D+01  0.129152D+01
      3  -0.133112D+01 -0.808271D+00  0.319370D+01  0.129152D+01  0.231115D+01
                76            77            78            79            80 
      1   0.181830D+01  0.129152D+01  0.877241D+00  0.333345D+01  0.164333D+01
      2   0.129152D+01  0.202789D+01  0.147033D+01  0.164333D+01  0.206103D+01
      3   0.877241D+00  0.147033D+01  0.128469D+01  0.219097D+01  0.818406D+00
                81            82            83            84            85 
      1   0.219097D+01  0.825890D+00  0.138628D+01 -0.366365D+00  0.144992D+01
      2   0.818406D+00  0.138628D+01  0.200374D+01 -0.279498D+00  0.106550D+01
      3   0.132235D+01 -0.366365D+00 -0.279498D+00 -0.136004D+00 -0.310952D+00
                86            87            88            89            90 
      1   0.106550D+01 -0.310952D+00 -0.818946D+00 -0.687306D+00 -0.126685D+00
      2   0.129270D+02 -0.871983D+00 -0.687306D+00 -0.360690D+01  0.204192D+01
      3  -0.871983D+00  0.109207D+01 -0.126685D+00  0.204192D+01 -0.141019D+00
                91            92            93            94            95 
      1  -0.119831D+01  0.664809D+00  0.133573D+01  0.177486D+00 -0.607954D+00
      2   0.664809D+00 -0.822261D+00 -0.112644D+01 -0.607954D+00  0.351406D+01
      3   0.133573D+01 -0.112644D+01 -0.174052D+01 -0.466683D+00  0.194345D+01
                96            97            98            99           100 
      1  -0.466683D+00  0.160343D+01 -0.137385D+01 -0.162350D+01  0.851077D+01
      2   0.194345D+01 -0.137385D+01  0.352784D+01  0.418694D+01 -0.410999D-01
      3   0.163066D+01 -0.162350D+01  0.418694D+01  0.797493D+01  0.205078D+01
               101           102           103           104           105 
      1  -0.410999D-01  0.205078D+01  0.280765D+01  0.535193D+00  0.624027D+00
      2   0.846290D+00  0.106121D+00  0.535193D+00  0.347394D+00  0.463508D+00
      3   0.106121D+00  0.160714D+01  0.624027D+00  0.463508D+00  0.465461D+00
               106           107           108           109           110 
      1   0.367206D+01 -0.122614D+00  0.207774D+01  0.220448D+01 -0.846051D+00
      2  -0.122614D+00  0.826210D+00 -0.204590D+00 -0.846051D+00  0.410563D+00
      3   0.207774D+01 -0.204590D+00  0.111539D+01 -0.155649D+01  0.913308D+00
               111           112           113           114           115 
      1  -0.155649D+01 -0.703668D+00  0.160062D+01  0.983409D+00 -0.356823D+01
      2   0.913308D+00  0.160062D+01 -0.306638D+01 -0.149473D+01  0.277596D+01
      3   0.165971D+01  0.983409D+00 -0.149473D+01 -0.154142D+01  0.336724D+01
               116           117           118           119           120 
      1   0.277596D+01  0.336724D+01 -0.426591D+00 -0.392594D+00  0.487983D+00
      2  -0.320539D+01 -0.339693D+01 -0.392594D+00 -0.185763D+01  0.396913D+00
      3  -0.339693D+01 -0.702586D+01  0.487983D+00  0.396913D+00 -0.124994D+00
               121           122           123           124           125 
      1  -0.192530D+01  0.178992D+01  0.311019D+00  0.100791D+01 -0.155137D+00
      2   0.178992D+01 -0.100204D+02  0.164787D+01 -0.155137D+00  0.309703D+01
      3   0.311019D+00  0.164787D+01 -0.148645D+01  0.660546D+00 -0.219583D+01
               126           127           128           129           130 
      1   0.660546D+00  0.442520D+00 -0.104948D+01 -0.886277D-01 -0.166977D+01
      2  -0.219583D+01 -0.104948D+01 -0.211412D+00  0.132404D+00  0.713667D+00
      3   0.626057D+00 -0.886277D-01  0.132404D+00 -0.156402D+00  0.389239D+00
               131           132           133           134           135 
      1   0.713667D+00  0.389239D+00 -0.932711D-01  0.490977D+00  0.767553D-01
      2  -0.746373D+01 -0.315921D+01  0.490977D+00 -0.279648D+01 -0.207638D+01
      3  -0.315921D+01 -0.215333D+01  0.767553D-01 -0.207638D+01 -0.223660D+01
               136           137           138           139           140 
      1  -0.682433D+00 -0.230759D+01 -0.411753D+01 -0.299232D+01  0.953752D+00
      2  -0.230759D+01  0.543904D+00  0.179449D+00  0.953752D+00  0.636319D+01
      3  -0.411753D+01  0.179449D+00  0.116059D+01  0.302566D+00 -0.244416D+01
               141           142           143           144           145 
      1   0.302566D+00 -0.441746D+01  0.270078D-01  0.129325D+01  0.108017D+01
      2  -0.244416D+01  0.270078D-01 -0.150287D+01 -0.173369D+01 -0.290509D+01
      3  -0.187641D+01  0.129325D+01 -0.173369D+01  0.211664D+01 -0.371268D+01
               146           147           148           149           150 
      1  -0.290509D+01 -0.371268D+01 -0.419006D+01  0.126278D+01 -0.179670D+00
      2   0.158669D-01 -0.228797D+00  0.126278D+01  0.680341D+01 -0.101060D+01
      3  -0.228797D+00  0.141975D+01 -0.179670D+00 -0.101060D+01 -0.185859D+01
               151           152           153           154           155 
      1  -0.458954D+01 -0.117574D+00  0.206679D+01 -0.655720D+01  0.413816D+01
      2  -0.117574D+00 -0.124476D+01 -0.156585D+01  0.413816D+01 -0.393760D+01
      3   0.206679D+01 -0.156585D+01  0.441292D+01  0.709838D-01  0.287560D+00
               156           157           158           159           160 
      1   0.709838D-01  0.315882D+01 -0.332329D+01  0.355180D+00  0.268580D+00
      2   0.287560D+00 -0.332329D+01  0.421801D+01  0.989212D-01  0.276348D+00
      3  -0.717124D+00  0.355180D+00  0.989212D-01  0.488469D+00 -0.861602D+00
               161           162           163           164           165 
      1   0.276348D+00 -0.861602D+00 -0.388040D+01 -0.260399D+00 -0.313212D+01
      2   0.254781D+00  0.868084D+00 -0.260399D+00 -0.559943D+00 -0.251753D+00
      3   0.868084D+00 -0.253814D+00 -0.313212D+01 -0.251753D+00 -0.402581D+01
               166           167           168           169           170 
      1  -0.682616D+00 -0.558087D+00 -0.701730D+00 -0.260517D+01 -0.341763D+00
      2  -0.558087D+00 -0.394966D+00 -0.734481D+00 -0.341763D+00 -0.631912D+00
      3  -0.701730D+00 -0.734481D+00 -0.629450D+00 -0.312668D+01 -0.218991D-01
               171           172           173           174           175 
      1  -0.312668D+01  0.310055D+01  0.148842D+01 -0.253861D+01  0.123507D+01
      2  -0.218991D-01  0.148842D+01  0.185486D+01 -0.197818D+01  0.140226D+01
      3  -0.608223D+01 -0.253861D+01 -0.197818D+01  0.325843D+01 -0.154741D+01
               176           177           178           179           180 
      1   0.140226D+01 -0.154741D+01 -0.143270D+01 -0.948140D+00  0.150661D+01
      2   0.229751D+01 -0.185880D+01 -0.948140D+00 -0.114677D+01  0.175165D+01
      3  -0.185880D+01  0.253139D+01  0.150661D+01  0.175165D+01 -0.397777D+01
               181           182           183           184           185 
      1   0.501387D+01  0.713995D+00  0.123395D+01  0.144348D+01  0.347555D+00
      2   0.713995D+00  0.669844D+00 -0.448841D-01  0.347555D+00 -0.396315D+00
      3   0.123395D+01 -0.448841D-01  0.318220D+01  0.112091D-01  0.693302D+00
               186           187           188           189           190 
      1   0.112091D-01  0.124424D+01  0.353489D+00  0.181195D+01 -0.385605D+00
      2   0.693302D+00  0.353489D+00  0.877368D+00  0.323976D+00 -0.759595D+00
      3   0.127234D+01  0.181195D+01  0.323976D+00  0.190582D+01  0.875219D+00
               191           192           193           194           195 
      1  -0.759595D+00  0.875219D+00 -0.115885D+01 -0.101817D+01  0.389295D+00
      2  -0.368349D+00  0.100986D+00 -0.101817D+01 -0.814243D+01  0.314766D+01
      3   0.100986D+00 -0.465725D+00  0.389295D+00  0.314766D+01 -0.264675D+01
               196           197           198           199           200 
      1   0.407061D+00  0.730678D-01 -0.323874D+00 -0.460298D+01  0.829556D+00
      2   0.730678D-01  0.109260D+01 -0.117279D+01  0.829556D+00 -0.110215D+01
      3  -0.323874D+00 -0.117279D+01  0.928543D+00  0.348938D+01 -0.333632D+00
               201           202           203           204           205 
      1   0.348938D+01  0.188585D+01 -0.992001D+00 -0.119431D+01  0.244194D+01
      2  -0.333632D+00 -0.992001D+00  0.281280D+00  0.112378D+01 -0.429989D+00
      3  -0.394577D+01 -0.119431D+01  0.112378D+01  0.201980D+01 -0.259997D+01
               206           207           208           209           210 
      1  -0.429989D+00 -0.259997D+01 -0.885901D+00  0.546746D+00 -0.118650D+01
      2   0.787679D+00  0.694940D+00  0.546746D+00 -0.353103D-01 -0.319286D-01
      3   0.694940D+00  0.379164D+01 -0.118650D+01 -0.319286D-01 -0.143291D+01
               211           212           213           214           215 
      1   0.122041D+01 -0.241180D+00  0.137982D+00 -0.259018D+01 -0.517855D+00
      2  -0.241180D+00 -0.240271D+00 -0.722230D+00 -0.517855D+00 -0.114808D+01
      3   0.137982D+00 -0.722230D+00  0.805382D+00 -0.239373D+01  0.267565D+00
               216           217           218           219           220 
      1  -0.239373D+01 -0.806941D+01  0.700064D+00  0.212923D+01  0.331858D+01
      2   0.267565D+00  0.700064D+00 -0.100787D+01 -0.236752D+00 -0.122296D+01
      3  -0.660823D+01  0.212923D+01 -0.236752D+00 -0.151395D+01 -0.566142D+00
               221           222           223           224           225 
      1  -0.122296D+01 -0.566142D+00  0.439127D+01 -0.335152D-01 -0.199551D+01
      2   0.156808D+00  0.544533D+00 -0.335152D-01  0.929625D+00  0.398554D+00
      3   0.544533D+00  0.903369D+00 -0.199551D+01  0.398554D+00  0.136272D+01
               226           227           228           229           230 
      1  -0.736361D+00 -0.752045D+00  0.389128D+00 -0.232221D+01 -0.289517D+01
      2  -0.752045D+00 -0.289333D+00  0.388224D-01 -0.289517D+01 -0.908715D+01
      3   0.389128D+00  0.388224D-01 -0.432184D-01 -0.990664D-01  0.243454D+00
               231           232           233           234 
      1  -0.990664D-01  0.897652D+00  0.313762D+00 -0.569899D+00
      2   0.243454D+00  0.313762D+00  0.802116D+00 -0.865694D+00
      3  -0.106307D+01 -0.569899D+00 -0.865694D+00 -0.880831D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133930D+01  0.142082D+01  0.300919D+00  0.249062D+01  0.873630D+01
      2   0.315427D+01 -0.181324D+01 -0.318143D+01  0.828517D+00  0.942059D+01
      3  -0.265269D+01 -0.495154D+01  0.125773D+01  0.177869D+01 -0.433416D+02
                 6             7             8             9            10 
      1  -0.161488D+01  0.968115D+00  0.470135D+01  0.401944D+00 -0.913293D+00
      2   0.935651D+01 -0.978257D+01  0.147185D+02  0.159384D+02 -0.661269D+00
      3  -0.121207D+02  0.199807D+01 -0.896648D+01 -0.142492D+02  0.337648D+01
                11            12            13            14            15 
      1  -0.675241D+01 -0.371752D+01 -0.365184D+01 -0.154372D+02  0.503191D+00
      2   0.238699D+01  0.282854D+01 -0.641082D-01 -0.408217D+01 -0.188966D+01
      3  -0.457921D+01 -0.275508D+01  0.423877D+01  0.852858D+01  0.548388D+01
                16            17            18            19            20 
      1  -0.539926D+01  0.161315D+02  0.129662D+02 -0.128973D+01 -0.160682D+01
      2  -0.759650D+00 -0.272947D+01 -0.535671D+01 -0.553518D+00  0.538361D+01
      3  -0.115452D+01  0.881832D+01  0.106277D+02  0.101178D+02 -0.670778D+01
                21            22            23            24            25 
      1  -0.434563D+00 -0.213058D+01 -0.113172D+02 -0.238721D+01 -0.265567D+01
      2   0.169429D+01  0.405611D+01 -0.110392D+02 -0.105199D+02 -0.549522D+01
      3  -0.440917D+01  0.292046D+01  0.421329D+02  0.135085D+02 -0.268285D+01
                26            27            28            29            30 
      1   0.481196D+01  0.269920D+01 -0.146177D+01 -0.530092D+01 -0.419429D+01
      2  -0.108196D+02 -0.160331D+02 -0.496850D+01 -0.852187D+01 -0.549484D+01
      3   0.129270D+02  0.114590D+02  0.102516D+02 -0.175156D+01  0.967664D+01
                31            32            33            34            35 
      1  -0.287390D+01 -0.571125D+01  0.166026D+01 -0.929753D+01  0.126097D+02
      2  -0.776460D+01 -0.266610D+01  0.364350D+01 -0.153880D+02  0.128805D+02
      3   0.125910D+02 -0.277609D+02  0.514791D+01  0.100268D+02  0.998836D+01
                36            37            38            39            40 
      1   0.886300D+01 -0.579043D+00  0.349881D+00  0.442834D+01 -0.411911D+01
      2   0.140284D+02  0.787637D+01  0.308404D+01  0.338520D+01 -0.290024D+01
      3  -0.404499D+01 -0.131830D+02 -0.817639D+01 -0.893727D+00  0.775651D+01
                41            42            43            44            45 
      1   0.111158D+01 -0.108366D+02  0.717461D+01  0.519625D+00  0.450552D+01
      2   0.263287D+01 -0.446603D+01 -0.893870D+01 -0.400857D+01  0.431488D+01
      3   0.148538D+01  0.276269D+01  0.452605D+01 -0.861305D-01 -0.637437D+01
                46            47            48            49            50 
      1   0.404775D+01 -0.721344D-01 -0.206062D+01 -0.787493D+00 -0.128474D+01
      2  -0.124614D+02 -0.313640D+01  0.650733D+01  0.651010D+00 -0.154909D+01
      3   0.111396D+02 -0.453542D+01 -0.147620D+01 -0.238479D+01 -0.141985D+02
                51            52            53            54            55 
      1  -0.226034D+01 -0.216048D+01  0.677066D+01 -0.282380D+01  0.259429D+01
      2  -0.990369D+00 -0.914168D+00 -0.299483D+01  0.619106D+01  0.256367D+01
      3   0.244283D+01 -0.680706D+01  0.168959D+01  0.472776D+01 -0.360755D+01
                56            57            58            59            60 
      1   0.224588D+01  0.607504D+01  0.290636D+01  0.370873D+01 -0.657164D+01
      2   0.187027D+01  0.451612D+01  0.154498D+01  0.233622D+01 -0.328059D+01
      3  -0.567013D+01 -0.354104D+01  0.353059D+01  0.116611D+02 -0.495687D+01
                61            62            63            64            65 
      1   0.453898D+01  0.443919D+00 -0.826686D+01 -0.217291D+01  0.291602D+01
      2  -0.209678D+01 -0.254604D+01 -0.496703D+01 -0.138493D+01 -0.419451D+01
      3  -0.507781D+01 -0.607015D+01 -0.121652D+01  0.230054D+01 -0.430138D+01
                66            67            68            69            70 
      1  -0.120396D+02  0.585104D+01 -0.169218D+01  0.688010D+01 -0.101201D+02
      2   0.961615D+01 -0.114015D+01 -0.422500D+01  0.135732D+02  0.282418D+01
      3   0.622855D+01 -0.156767D+01 -0.189622D+01 -0.134055D+01  0.471881D+01
                71            72            73            74            75 
      1   0.752425D+01  0.268767D+01 -0.182446D+01  0.336539D+00 -0.288150D+01
      2   0.852775D+01  0.409957D+01 -0.567535D+00  0.107093D+01  0.564113D+01
      3   0.627473D+00  0.105045D+01  0.507357D+01 -0.195020D+01  0.134798D+01
                76            77            78            79            80 
      1  -0.229331D+00 -0.674082D+00 -0.103755D+01 -0.185301D+01  0.265877D+01
      2  -0.168403D+00  0.284418D+01  0.277874D+01  0.519010D+00 -0.149402D+01
      3   0.119926D+01 -0.229695D+01 -0.159301D+01  0.111602D+01 -0.410020D+01
                81            82            83            84            85 
      1  -0.121087D+01  0.169591D+01  0.247617D+01 -0.334761D-02  0.538146D+00
      2   0.103612D+01 -0.707555D+00 -0.418330D+00  0.134628D+01 -0.116395D+01
      3   0.141772D+01  0.208299D+01  0.121857D+01 -0.717640D+00  0.682040D+01
                86            87            88            89            90 
      1   0.120286D+02 -0.609680D+01  0.546106D+00 -0.701622D+01  0.251290D+01
      2   0.109259D+01  0.828678D+00 -0.547381D+00  0.833171D+00  0.286015D+00
      3  -0.512716D+01 -0.504000D+00 -0.275461D+01 -0.216641D+00 -0.184105D+01
                91            92            93            94            95 
      1  -0.296934D+01  0.160909D+01  0.382090D+01  0.418969D+00 -0.383671D+00
      2   0.209874D+01 -0.109964D+01 -0.936483D+00 -0.728179D+00  0.207241D+01
      3  -0.423363D+01  0.476845D+00  0.392880D+01  0.194445D+01 -0.383415D+01
                96            97            98            99           100 
      1  -0.261983D+01  0.304078D+01 -0.401780D+01 -0.166867D+02  0.356618D+01
      2   0.744408D+00 -0.529110D+01  0.285065D+01  0.419607D+01  0.719395D+01
      3  -0.248263D+01  0.736732D+01 -0.592011D+01 -0.676156D+01 -0.121948D+02
               101           102           103           104           105 
      1   0.864559D+00  0.249725D+01  0.752625D+00  0.115532D+01 -0.141165D+00
      2   0.295226D+00  0.763481D+01  0.181129D+01  0.144312D+01  0.209664D+01
      3  -0.527576D+01 -0.370311D+01 -0.326241D+01 -0.274871D+01 -0.231017D+01
               106           107           108           109           110 
      1   0.273695D+01  0.718688D+00  0.129016D+01 -0.240072D+01  0.150069D+01
      2   0.473899D+01  0.294118D-01  0.445614D+01 -0.305124D+01  0.228993D+01
      3  -0.501429D+01 -0.359812D+01 -0.212656D+01 -0.671204D+00 -0.196901D+01
               111           112           113           114           115 
      1   0.308598D+01  0.162434D+01 -0.859087D+00 -0.325938D+01  0.539883D+01
      2   0.512826D+01  0.243884D+01 -0.384866D+01 -0.448546D+01  0.595785D+01
      3  -0.105775D+01 -0.222409D+01  0.716472D+01  0.284406D+01 -0.174710D+01
               116           117           118           119           120 
      1  -0.359735D+01 -0.117104D+02  0.592652D+00  0.181153D+01 -0.461780D+00
      2  -0.848960D+01 -0.200579D+02  0.131745D+01  0.205274D+01  0.393602D+00
      3   0.564583D+01  0.494716D+01  0.238054D+01  0.527325D+01 -0.230224D+01
               121           122           123           124           125 
      1  -0.498367D+00  0.544846D+01 -0.532151D+01  0.129813D+01 -0.406260D+01
      2   0.128247D+01  0.463989D+01 -0.438756D+01  0.440778D+00 -0.545985D+01
      3   0.377125D+00  0.275890D+02 -0.563884D+01 -0.217220D+01 -0.961378D+01
               126           127           128           129           130 
      1   0.190488D+01  0.116635D+01 -0.350792D+00 -0.160045D+00 -0.503725D+00
      2   0.208658D+01  0.936067D+00 -0.100630D+01  0.915912D+00 -0.281972D+01
      3   0.532854D+01 -0.628860D+00 -0.168980D-01 -0.121944D+00  0.549317D+01
               131           132           133           134           135 
      1   0.555619D+01 -0.233784D+01 -0.214277D+00  0.300446D+01 -0.969854D+00
      2   0.648907D+00  0.892292D-01 -0.220371D+01  0.426391D-01 -0.622067D+00
      3   0.572202D+00 -0.286990D-01  0.879706D+00  0.429927D+00  0.207364D+00
               136           137           138           139           140 
      1  -0.106846D+02  0.748412D+00  0.191335D+01  0.310673D+01  0.128863D+02
      2   0.105493D+02  0.452231D+01  0.103954D+02  0.578286D+01  0.909639D+00
      3  -0.346470D+01  0.285391D+00  0.476500D+01  0.635383D+01  0.824077D+01
               141           142           143           144           145 
      1  -0.113890D+02  0.843747D+00 -0.373308D+01 -0.259592D+01 -0.254116D+01
      2   0.147883D+01  0.573872D+01  0.312554D+01 -0.407818D+01  0.111264D+02
      3  -0.378306D+01  0.418046D+01 -0.238212D+01 -0.358858D+01 -0.129152D+02
               146           147           148           149           150 
      1   0.178318D+00  0.238811D+01 -0.584179D+00 -0.339798D+01 -0.385068D+01
      2  -0.120211D+01 -0.486550D+01 -0.273935D+01  0.264750D+01  0.540185D+01
      3   0.255914D+01  0.382533D+01  0.117222D+02  0.206792D+02 -0.248862D+01
               151           152           153           154           155 
      1   0.393377D+01  0.560345D+00  0.732258D+01 -0.117139D+01  0.537278D+00
      2  -0.132506D+02  0.391715D+01 -0.153805D+02 -0.122595D+01  0.727054D+00
      3   0.500739D+01 -0.291039D+01 -0.751756D+01 -0.731045D+01 -0.144933D+01
               156           157           158           159           160 
      1   0.270192D+01  0.397679D+00 -0.150140D+01 -0.312530D+01  0.130598D+01
      2   0.344824D+01  0.353975D+00 -0.983749D+00 -0.212145D+01 -0.899650D-02
      3   0.293613D+00  0.376445D+01  0.873426D+00  0.627995D+00  0.561892D+00
               161           162           163           164           165 
      1  -0.349629D+00  0.398462D+00  0.320992D+01  0.370885D+01  0.412316D+01
      2  -0.826179D+00  0.139208D+00 -0.970957D+01 -0.120140D+01 -0.340930D+01
      3   0.115583D+01 -0.381864D+00 -0.301314D+01 -0.260135D+01 -0.232220D+01
               166           167           168           169           170 
      1   0.165356D+01  0.175561D+01  0.504128D+00  0.364207D+01  0.340492D+01
      2  -0.190481D+01 -0.597281D+00 -0.164958D+01 -0.699781D+01 -0.157280D+01
      3   0.669022D+00 -0.561073D-01 -0.613170D+00 -0.165768D+01 -0.183969D+01
               171           172           173           174           175 
      1   0.343293D+01 -0.145545D+01 -0.437645D+01  0.495352D+00 -0.244199D+01
      2  -0.256752D+01  0.915176D+01  0.343708D+01 -0.398227D+01  0.416158D+01
      3  -0.149318D+01  0.437149D+01  0.463860D+00 -0.243334D+01  0.384019D+01
               176           177           178           179           180 
      1  -0.366518D+01 -0.226346D+00  0.948421D+00  0.261937D+01 -0.556055D+00
      2   0.342192D+01 -0.379591D+01 -0.517280D+01 -0.297552D+01  0.369802D+01
      3   0.870451D+00 -0.188140D+01 -0.247770D+01 -0.278114D+00  0.207760D+01
               181           182           183           184           185 
      1   0.538664D+01  0.304974D+01  0.140783D+01  0.244219D+01  0.706800D+00
      2  -0.190216D+02 -0.316085D+01 -0.235120D+01 -0.546973D+01 -0.162188D+01
      3  -0.253211D+01 -0.132901D+01 -0.135032D+01  0.860711D+00 -0.240836D+00
               186           187           188           189           190 
      1   0.115188D+01  0.241579D+01  0.340465D+01  0.212923D+01 -0.346095D+00
      2  -0.402980D+00 -0.544248D+01 -0.176490D+01 -0.564218D+01 -0.632233D+00
      3   0.773085D-01 -0.114683D+01 -0.852948D+00 -0.187331D+00 -0.667591D+00
               191           192           193           194           195 
      1  -0.754829D+00 -0.564942D+00 -0.166553D+01 -0.153243D+02  0.618820D+00
      2   0.103603D+01 -0.271903D+00  0.291133D+01 -0.210655D+01  0.278604D+01
      3  -0.638563D+00 -0.519635D+00  0.303967D+01 -0.944670D+01  0.362380D+01
               196           197           198           199           200 
      1  -0.386925D-01  0.298197D+01 -0.160606D+01  0.521647D+01 -0.436616D+01
      2  -0.145717D+01  0.855216D+00 -0.478752D+00  0.604159D+01 -0.182394D+01
      3  -0.468290D+00  0.131549D+01 -0.107351D+01  0.420435D+01 -0.415471D+01
               201           202           203           204           205 
      1  -0.399403D+01 -0.282173D+01  0.236042D+01  0.290046D+01 -0.341937D+01
      2   0.324529D+00 -0.290797D+01  0.204948D-01 -0.131488D+01 -0.452878D+01
      3  -0.332610D+01 -0.154467D+01  0.185855D+01  0.236974D+01 -0.248270D+01
               206           207           208           209           210 
      1   0.380753D+01  0.475981D+01 -0.199122D+01  0.112898D+00 -0.120247D+01
      2   0.110209D+00 -0.822523D-01  0.323479D+01  0.938265D+00  0.372337D+01
      3   0.222137D+01  0.321241D+01  0.228559D+01 -0.111655D+01  0.102200D+01
               211           212           213           214           215 
      1  -0.138317D+00 -0.939460D+00  0.100223D+01 -0.133838D+01  0.401027D+01
      2   0.157863D+01  0.230227D+01 -0.335862D+01  0.127645D+01 -0.256696D+01
      3  -0.535342D+00  0.177459D+00 -0.215090D+01  0.862226D+00 -0.398244D+01
               216           217           218           219           220 
      1  -0.827234D+01  0.220094D+01 -0.594820D+00 -0.142140D+01 -0.422971D+00
      2   0.199922D+02 -0.883089D+01  0.120596D+01  0.839805D+01  0.260404D+01
      3   0.386990D+01  0.113816D+02 -0.629960D+01 -0.329466D+01 -0.536688D+01
               221           222           223           224           225 
      1   0.793327D+00 -0.227919D+00 -0.195777D+01  0.114795D+01  0.786835D+00
      2  -0.211498D+01 -0.380495D+01  0.591883D+01 -0.129160D+01 -0.555430D+01
      3   0.258196D+01  0.225501D+01 -0.470457D+01  0.416793D+01  0.356120D+01
               226           227           228           229           230 
      1   0.784790D+00  0.308665D+00 -0.102026D+00  0.456292D+00  0.357535D+01
      2  -0.123768D+01 -0.357098D+00  0.125492D+01 -0.234405D+00 -0.159796D+01
      3  -0.174890D+01 -0.157205D+01 -0.487658D+00 -0.204220D+01 -0.236111D+02
               231           232           233           234 
      1  -0.457642D+01 -0.480084D+00 -0.285813D+00  0.403726D+00
      2   0.369026D+01  0.888655D+00  0.179241D+01  0.127779D+00
      3   0.978974D+00 -0.896566D+00  0.183023D+01 -0.163054D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145868D+02  0.375709D+01 -0.153099D+01  0.498242D+01 -0.267208D+02
      2   0.960665D+01 -0.759715D+00  0.206198D+01  0.162302D+01  0.324992D+02
      3   0.498014D+01 -0.299738D+01 -0.530996D+00 -0.660544D+01 -0.577843D+01
      4  -0.538069D+01  0.863651D+00 -0.116047D+02 -0.270663D+01  0.517950D+02
      5  -0.159932D+02 -0.752556D+01 -0.564145D+01 -0.106801D+02  0.561718D+01
      6  -0.536846D+01 -0.761905D+01 -0.523010D+01 -0.430174D+01  0.772554D+01
                 6             7             8             9            10 
      1  -0.117082D+02 -0.377275D+01 -0.146516D+02 -0.187195D+02  0.133153D+01
      2   0.949796D+01  0.211154D+01  0.173077D+01  0.249762D+01  0.290165D+01
      3   0.221027D+01  0.166121D+01  0.129208D+02  0.162219D+02 -0.423319D+01
      4   0.526166D+01 -0.198352D+02  0.135555D+01  0.125583D+02 -0.167092D+01
      5   0.512098D+01 -0.388841D+01  0.836381D+01  0.988313D+01  0.199090D+01
      6   0.732963D+01 -0.305889D+01  0.114939D+02  0.595709D+01  0.227159D+01
                11            12            13            14            15 
      1  -0.410911D+01 -0.979745D+01  0.153321D+01  0.373363D+02  0.212675D+01
      2  -0.402449D+01  0.956412D+01 -0.570075D+01 -0.556638D+02  0.656496D+01
      3   0.813360D+01  0.233326D+00  0.416753D+01  0.183274D+02 -0.869171D+01
      4   0.454306D+01  0.457887D+01  0.740767D+01 -0.180228D+02  0.448191D+01
      5   0.187792D+01 -0.878729D+00  0.296568D+01  0.410392D+00  0.232730D+01
      6   0.146571D+02  0.122789D+02  0.668575D+01  0.497427D+01 -0.583994D+01
                16            17            18            19            20 
      1  -0.986717D+01 -0.734851D+00  0.196552D+02  0.135181D+02 -0.114962D+01
      2   0.644294D+01  0.213808D+02 -0.644607D+01 -0.114734D+02 -0.171095D+01
      3   0.342424D+01 -0.206459D+02 -0.132091D+02 -0.204472D+01  0.286057D+01
      4   0.444520D+01  0.888860D+01  0.374617D+01 -0.451576D+01  0.580397D+01
      5   0.264808D+00  0.496454D+01  0.573220D+01  0.171270D+00  0.770920D+01
      6   0.119156D+02 -0.182337D+02 -0.248217D+02 -0.293250D+01 -0.541572D+01
                21            22            23            24            25 
      1   0.356906D+01  0.110080D+01  0.119409D+02  0.103982D+02 -0.228811D+01
      2  -0.277483D+01 -0.218835D+01 -0.831134D+01 -0.151497D+01 -0.430247D+00
      3  -0.794236D+00  0.108754D+01 -0.362958D+01 -0.888325D+01  0.271836D+01
      4   0.491369D+01  0.103890D+01 -0.536339D+02 -0.157131D+02 -0.148287D+01
      5   0.539531D+01  0.349410D+01 -0.111255D+02 -0.964283D+01  0.119562D+02
      6  -0.172426D+00 -0.157914D+01 -0.840751D+01 -0.141769D+01 -0.854789D+00
                26            27            28            29            30 
      1   0.100363D+02  0.107596D+02 -0.315080D+02 -0.256038D+01 -0.151209D+02
      2  -0.988573D+01 -0.122831D+02  0.243586D+02 -0.539422D+01  0.972126D+01
      3  -0.150555D+00  0.152346D+01  0.714939D+01  0.795460D+01  0.539969D+01
      4  -0.155786D+02 -0.136427D+02 -0.388835D+01  0.261881D+01 -0.975309D+01
      5  -0.113568D+02 -0.144005D+02 -0.110956D+02 -0.135191D+02 -0.152645D+02
      6   0.322813D+01 -0.558444D+01  0.214266D+01  0.773518D+01  0.624352D+01
                31            32            33            34            35 
      1  -0.147610D+02  0.117477D+02 -0.158490D+02 -0.176593D+02 -0.202527D+02
      2   0.629224D+01 -0.236444D+02  0.151583D+02  0.733838D+01  0.237324D+02
      3   0.846878D+01  0.118967D+02  0.690670D+00  0.103209D+02 -0.347970D+01
      4  -0.280718D+01  0.361881D+02  0.190291D+01 -0.119587D+02  0.366884D+00
      5  -0.128982D+02 -0.404858D+01  0.938251D+01 -0.251767D+02  0.232263D+02
      6   0.260095D+01  0.114522D+02 -0.719618D+01  0.117259D+02 -0.160362D+02
                36            37            38            39            40 
      1  -0.132642D+02 -0.109723D+02 -0.378532D+01  0.127651D+01 -0.111254D+02
      2   0.978824D+01  0.789056D+01  0.323110D+01 -0.209052D+01  0.498328D+00
      3   0.347594D+01  0.308173D+01  0.554216D+00  0.814008D+00  0.106271D+02
      4   0.204761D+02  0.499175D+01  0.242951D+01  0.490317D+01  0.127447D+01
      5   0.290498D+02  0.393990D+01  0.177797D+00  0.401197D+00 -0.738361D+00
      6  -0.157982D+02  0.688927D+01  0.603729D+00  0.253388D+01 -0.405196D+00
                41            42            43            44            45 
      1   0.187383D+02  0.358339D+01  0.746633D+01  0.102855D+02  0.103198D+01
      2  -0.106160D+02 -0.898477D+01 -0.204935D+01 -0.123755D+02  0.384186D+01
      3  -0.812233D+01  0.540138D+01 -0.541699D+01  0.209002D+01 -0.487385D+01
      4  -0.595630D+01 -0.136305D+01  0.846685D+01 -0.297745D+00  0.152663D+01
      5   0.127057D+01  0.463452D+01 -0.387532D+01  0.130158D+01 -0.528972D+00
      6  -0.114751D+02 -0.165001D+02 -0.661462D+00 -0.991554D+01  0.367433D+01
                46            47            48            49            50 
      1  -0.198963D+00 -0.730097D+01 -0.126582D+02 -0.947202D+01 -0.281352D+01
      2  -0.590707D+01  0.153725D+01  0.945263D+01  0.734258D+01  0.184414D+01
      3   0.610604D+01  0.576372D+01  0.320561D+01  0.212944D+01  0.969382D+00
      4  -0.127731D+02  0.207461D+01 -0.862312D+01  0.422206D+01  0.166209D+02
      5  -0.149101D+02 -0.448135D+01  0.615733D+01  0.399957D+00 -0.557984D+01
      6  -0.909956D+01 -0.891290D-01  0.188403D+01 -0.367506D+00 -0.339129D+01
                51            52            53            54            55 
      1  -0.529795D+01 -0.175068D+02 -0.780970D+01  0.897115D+01 -0.805559D+01
      2  -0.111513D+01  0.961248D+01  0.365637D+01 -0.430304D+01 -0.519896D+01
      3   0.641308D+01  0.789435D+01  0.415333D+01 -0.466810D+01  0.132545D+02
      4  -0.733057D+01 -0.787436D+01 -0.746530D+01  0.230616D+01  0.193572D+02
      5  -0.376532D+01  0.846898D+01 -0.670191D+00  0.442715D+01  0.735969D-01
      6   0.591038D+01  0.510816D+01 -0.332900D+00  0.243828D+01  0.123181D+01
                56            57            58            59            60 
      1   0.642856D+01  0.317239D+01  0.386577D+01 -0.123721D+02  0.320915D+01
      2   0.519200D+01 -0.976338D+01  0.359140D+01  0.965072D+01 -0.157137D+01
      3  -0.116206D+02  0.659099D+01 -0.745716D+01  0.272139D+01 -0.163778D+01
      4  -0.222831D+02  0.173756D+01 -0.196718D+02  0.551364D+01  0.301190D+01
      5   0.195576D+01  0.624956D+00 -0.988321D+00  0.222608D+01  0.364807D+00
      6  -0.914371D+01 -0.537561D+01 -0.563761D+01  0.274754D+01  0.117814D+00
                61            62            63            64            65 
      1   0.107307D+01  0.605545D+01  0.180510D+01  0.707420D+01  0.800913D+01
      2  -0.590991D+01 -0.761681D+01  0.771805D+01  0.622124D+01  0.161114D+01
      3   0.483684D+01  0.156136D+01 -0.952315D+01 -0.132954D+02 -0.962027D+01
      4   0.393958D+01  0.387349D+01 -0.790374D+01 -0.418089D+01 -0.888082D-01
      5   0.294730D+01 -0.243204D+01 -0.147503D+01 -0.333087D+01  0.314144D+01
      6  -0.556454D+01  0.519294D+01  0.629379D+01  0.628648D+01  0.134829D+02
                66            67            68            69            70 
      1  -0.288045D+01  0.114727D+02 -0.306992D+01 -0.152031D+01  0.517666D+00
      2   0.142135D+02  0.419886D+01 -0.221231D+01 -0.224423D+01  0.107477D+02
      3  -0.113331D+02 -0.156716D+02  0.528222D+01  0.376453D+01 -0.112653D+02
      4   0.220231D+01  0.268470D+01 -0.291197D+01  0.841094D+01 -0.256607D+01
      5  -0.171171D+02  0.168734D+01  0.566857D+01 -0.132274D+02 -0.128105D+02
      6  -0.102218D+02  0.126695D+02 -0.534417D+01  0.553352D+01 -0.471133D+01
                71            72            73            74            75 
      1  -0.612957D+01 -0.505125D+01  0.337159D+02  0.935857D+01  0.101647D+02
      2   0.396249D+01 -0.198573D+01 -0.186198D+02 -0.420459D+01 -0.886595D+01
      3   0.216709D+01  0.703697D+01 -0.150961D+02 -0.515398D+01 -0.129871D+01
      4   0.466365D+01 -0.249234D+00  0.263329D+02  0.145886D+02  0.114361D+02
      5  -0.606583D+01 -0.462451D+01  0.227931D+02  0.894758D+01  0.163648D+02
      6   0.708325D-01  0.718225D+00  0.768097D+01  0.508435D+01  0.579205D+01
                76            77            78            79            80 
      1   0.467034D+01  0.389973D+00 -0.532514D+00  0.112419D+02  0.317188D+01
      2  -0.706884D+00  0.240767D+01  0.468053D+00 -0.800351D+01  0.941543D+00
      3  -0.396346D+01 -0.279764D+01  0.644607D-01 -0.323839D+01 -0.411342D+01
      4   0.125345D+02  0.118493D+02  0.834517D+01  0.134047D+02  0.127021D+02
      5   0.590804D+01  0.755968D+01  0.629280D+01  0.147694D+02  0.529090D+01
      6   0.462792D+01  0.639004D+01  0.549625D+01  0.591296D+01  0.474875D+01
                81            82            83            84            85 
      1   0.547154D+01 -0.132301D+01 -0.453917D+01  0.439955D+00 -0.183069D+01
      2  -0.548758D+01  0.669588D+01  0.116382D+02 -0.635529D+00  0.710122D+01
      3   0.160382D-01 -0.537287D+01 -0.709907D+01  0.195574D+00 -0.527052D+01
      4   0.790954D+01  0.565658D+01  0.132446D+02 -0.162337D+01  0.811879D+01
      5   0.104969D+02 -0.237214D+00  0.283300D+00  0.205105D+01 -0.156027D+00
      6   0.496913D+01 -0.164911D+01 -0.111312D+01 -0.773354D-01 -0.537187D+00
                86            87            88            89            90 
      1  -0.438270D+02  0.226204D+01  0.133357D+01  0.117015D+02 -0.733896D+01
      2   0.789637D+02 -0.621100D+01 -0.218577D+01 -0.233575D+02  0.813005D+01
      3  -0.351367D+02  0.394895D+01  0.852202D+00  0.116560D+02 -0.791088D+00
      4   0.193584D+02 -0.199311D+01 -0.332074D+01 -0.575617D+01  0.215392D+01
      5   0.397938D-01  0.681633D+00  0.143367D+01  0.868565D+00 -0.142649D+01
      6  -0.526501D+01  0.842894D+01 -0.496664D+00  0.136931D+02 -0.255197D+01
                91            92            93            94            95 
      1  -0.208942D+01  0.345060D+01  0.516925D+01  0.140203D+01 -0.137182D+02
      2  -0.148512D+01 -0.200787D+01 -0.203264D+01 -0.145008D+01  0.147272D+02
      3   0.357454D+01 -0.144273D+01 -0.313661D+01  0.480426D-01 -0.100906D+01
      4  -0.328323D+01  0.459562D+01  0.469152D+01  0.133037D+01  0.102565D+01
      5  -0.297376D+01  0.320835D+01  0.648877D+01  0.811162D+00 -0.787725D+00
      6   0.579324D+01 -0.642870D+01 -0.801865D+01 -0.314267D+01  0.110277D+02
                96            97            98            99           100 
      1  -0.805965D+01  0.674000D+01 -0.171025D+02 -0.262475D+02  0.663474D+02
      2   0.598449D+01 -0.152583D+01  0.766724D+01  0.149964D+01 -0.369408D+02
      3   0.207516D+01 -0.521416D+01  0.943525D+01  0.247479D+02 -0.294066D+02
      4  -0.123822D+01  0.366870D+01 -0.181250D+01 -0.199172D+01 -0.966024D+01
      5  -0.946325D+00  0.556961D+01 -0.271456D+01 -0.391936D+01  0.163482D+02
      6   0.125625D+02 -0.736531D+01  0.254017D+02  0.372304D+02 -0.515426D+01
               101           102           103           104           105 
      1   0.213809D+01  0.151267D+02  0.194993D+02  0.379362D+01  0.459984D+01
      2  -0.287458D+01 -0.931677D+01 -0.115995D+02 -0.113928D+01 -0.414696D+01
      3   0.736492D+00 -0.580997D+01 -0.789975D+01 -0.265435D+01 -0.452885D+00
      4   0.812662D+01 -0.197466D+01  0.456883D+01  0.334848D+01  0.261946D+01
      5   0.293879D+00  0.140612D+02  0.467231D+01  0.318438D+01  0.385918D+01
      6   0.286709D-01 -0.458228D+01 -0.557447D+00 -0.824922D+00  0.709142D+00
               106           107           108           109           110 
      1   0.252891D+02  0.102273D+01  0.113521D+02  0.139460D+02 -0.488271D+01
      2  -0.155956D+02 -0.308544D+01 -0.933538D+01 -0.982543D+01  0.311653D+01
      3  -0.969349D+01  0.206271D+01 -0.201668D+01 -0.412061D+01  0.176617D+01
      4  -0.458277D+01  0.517288D+01 -0.273144D+01 -0.860050D+01  0.590526D+01
      5   0.169932D+02 -0.928970D+00  0.965843D+01 -0.118359D+02  0.728917D+01
      6  -0.429160D+01  0.240771D+01 -0.175232D+01  0.499381D+01 -0.354029D+01
               111           112           113           114           115 
      1  -0.755275D+01 -0.162539D+01 -0.561674D+00  0.133432D+01 -0.154173D+02
      2   0.527862D+01 -0.511712D+00  0.473487D+01  0.210960D+00  0.114206D+02
      3   0.227413D+01  0.213711D+01 -0.417319D+01 -0.154528D+01  0.399677D+01
      4   0.798967D+01  0.102932D+02 -0.160964D+02 -0.944678D+01  0.191778D+02
      5   0.146341D+02  0.626864D+01 -0.858135D+01 -0.935952D+01  0.256327D+02
      6  -0.534408D+01 -0.412844D+01  0.515892D+01  0.944602D+01 -0.111181D+02
               116           117           118           119           120 
      1   0.617995D+01  0.402947D+01 -0.119892D+01 -0.843278D+01  0.385989D+01
      2  -0.424377D+01 -0.132763D+02  0.179603D+01  0.102612D+02 -0.225071D+01
      3  -0.193618D+01  0.924681D+01 -0.597113D+00 -0.182838D+01 -0.160918D+01
      4  -0.194999D+02 -0.195725D+02  0.237336D+00 -0.201191D+01 -0.615334D-01
      5  -0.213198D+02 -0.433853D+02  0.186868D+01  0.143690D+01  0.123589D+01
      6   0.157954D+02  0.234031D+02 -0.188765D+01 -0.280151D+01  0.131489D+01
               121           122           123           124           125 
      1  -0.762421D+01 -0.203381D+02  0.713386D+01  0.541125D+01  0.970760D+01
      2   0.701936D+00  0.423163D+02 -0.923076D+01 -0.121867D+01 -0.151178D+02
      3   0.692227D+01 -0.219783D+02  0.209691D+01 -0.419258D+01  0.541021D+01
      4   0.141896D+02 -0.427955D+02  0.664534D+01 -0.371074D+01  0.131660D+02
      5   0.227702D+00  0.960607D+01 -0.843151D+01  0.596446D+01 -0.119646D+02
      6   0.186247D+01 -0.149494D+02  0.963885D+01 -0.302159D+01  0.139655D+02
               126           127           128           129           130 
      1  -0.344418D+01  0.315248D+00 -0.690419D+00 -0.163781D+00  0.577133D+00
      2   0.396783D+01  0.200160D+01  0.366769D+00  0.325260D+00 -0.144282D+01
      3  -0.523652D+00 -0.231685D+01  0.323650D+00 -0.161479D+00  0.865682D+00
      4  -0.934435D+01 -0.621053D+00  0.716284D+01  0.198089D+01  0.684011D+01
      5   0.216930D+01 -0.898093D+00  0.322130D+01  0.340301D+01  0.330165D+01
      6  -0.543683D+01  0.374628D+01 -0.350634D+00  0.707789D+00 -0.290946D+01
               131           132           133           134           135 
      1  -0.209740D+02 -0.100029D+02  0.347527D+00 -0.865259D+01 -0.968204D+01
      2   0.253504D+02  0.749284D+01  0.300755D+00  0.637897D+01  0.192601D+01
      3  -0.437641D+01  0.251002D+01 -0.648282D+00  0.227362D+01  0.775603D+01
      4  -0.162513D+01 -0.125800D+01  0.190099D+01 -0.123501D+01  0.203115D+00
      5  -0.200556D+01 -0.110195D+01  0.283570D+01 -0.841866D+00 -0.186386D+01
      6   0.239888D+02  0.157288D+02 -0.945014D+00  0.145538D+02  0.108717D+02
               136           137           138           139           140 
      1   0.529886D+01  0.622339D+01  0.102321D+02  0.867112D+01  0.121060D+02
      2   0.147062D+02 -0.469466D+01 -0.982585D+01 -0.907174D+01 -0.167024D+02
      3  -0.200051D+02 -0.152873D+01 -0.406236D+00  0.400619D+00  0.459641D+01
      4   0.902960D+01  0.277164D+01  0.193169D+01  0.474416D+00 -0.140146D+02
      5   0.116794D+02 -0.736275D+01 -0.194104D+02 -0.108088D+02  0.549636D+01
      6  -0.522527D+01  0.264065D+01  0.309894D+01  0.479454D+01  0.252082D+02
               141           142           143           144           145 
      1  -0.170571D+01  0.983233D+01  0.157682D+01 -0.143975D+02 -0.131104D+02
      2   0.148211D+02 -0.841288D+01  0.876753D+01  0.131875D+01  0.117119D+02
      3  -0.131154D+02 -0.141944D+01 -0.103444D+02  0.130788D+02  0.139852D+01
      4   0.617574D+01  0.322732D+01  0.437685D+01  0.170196D+01  0.203152D+02
      5   0.772385D+01 -0.184583D+02  0.443805D+01  0.263849D+01  0.231866D+02
      6  -0.825559D+01  0.128877D+01 -0.280883D+01 -0.112143D+02  0.677523D+01
               146           147           148           149           150 
      1   0.170640D+02  0.219808D+02  0.267920D+02  0.112573D+02 -0.310491D+01
      2  -0.994814D+01 -0.101679D+02 -0.195910D+02 -0.251601D+02  0.324016D+01
      3  -0.711590D+01 -0.118129D+02 -0.720098D+01  0.139028D+02 -0.135249D+00
      4   0.308082D+01  0.353080D+01 -0.323370D+01 -0.307051D+02  0.615457D+01
      5   0.135566D+01 -0.853416D+01 -0.902370D+00  0.563124D+01  0.933932D+01
      6   0.875548D+00 -0.176920D+01  0.428678D+00 -0.543061D+00  0.293163D+01
               151           152           153           154           155 
      1   0.273271D+02 -0.215573D+01 -0.116364D+02  0.207712D+02 -0.770613D+01
      2  -0.110831D+02  0.316317D+01  0.138193D+02  0.911606D-01 -0.777551D+01
      3  -0.162440D+02 -0.100744D+01 -0.218294D+01 -0.208624D+02  0.154816D+02
      4   0.281526D+01  0.665911D+01  0.568436D+01 -0.317918D+02  0.272151D+02
      5  -0.136276D+02  0.715106D+01 -0.224789D+02  0.270702D+01 -0.242473D+01
      6  -0.334590D+01  0.365747D+01 -0.687456D+01 -0.310327D+01  0.333930D+01
               156           157           158           159           160 
      1  -0.627842D+00 -0.391301D+01 -0.218149D+00  0.133579D-01 -0.658121D+00
      2   0.968010D+00 -0.852405D+01  0.161211D+02  0.820529D+00  0.632855D+00
      3  -0.340168D+00  0.124371D+02 -0.159029D+02 -0.833887D+00  0.252664D-01
      4  -0.927148D+00  0.222444D+02 -0.242215D+02  0.158418D+00 -0.276150D+00
      5   0.543412D+01 -0.175677D+01  0.127562D+01 -0.224564D+01  0.543231D+01
      6  -0.318830D+01  0.253242D+01 -0.297533D+01  0.472123D+01 -0.355644D+01
               161           162           163           164           165 
      1  -0.392279D-01  0.936008D-01  0.254595D+01  0.980186D+00 -0.462290D+01
      2   0.145411D+01  0.414232D+00 -0.128533D+02 -0.195779D+01 -0.144418D+02
      3  -0.141488D+01 -0.507833D+00  0.103074D+02  0.977606D+00  0.190647D+02
      4  -0.398686D+00 -0.460697D+01 -0.150384D+01  0.335571D+01 -0.206865D+01
      5  -0.366119D+01  0.304262D+00  0.182188D+02  0.598306D+00  0.190314D+02
      6   0.567775D+01 -0.209869D+01 -0.356589D+01  0.266553D+01 -0.393310D+01
               166           167           168           169           170 
      1  -0.126962D+01 -0.915111D+00 -0.132927D+01 -0.232432D+01  0.875439D+00
      2  -0.227327D+01 -0.219938D+01 -0.311675D+01 -0.115284D+02 -0.129761D+01
      3   0.354289D+01  0.311449D+01  0.444602D+01  0.138527D+02  0.422168D+00
      4   0.253276D+01  0.291387D+00  0.154951D+01 -0.117103D+01  0.204952D+01
      5   0.166599D+01  0.322086D+01  0.291712D+01  0.162082D+02  0.158568D+01
      6   0.186373D+01  0.115622D+01  0.503771D+01 -0.164202D+01  0.506308D+01
               171           172           173           174           175 
      1  -0.127544D+02 -0.237540D+01 -0.589944D+01  0.865167D+01 -0.437699D+01
      2  -0.198526D+02 -0.335783D+01  0.118871D+01  0.350294D+01  0.517098D+00
      3   0.326070D+02  0.573323D+01  0.471073D+01 -0.121546D+02  0.385989D+01
      4  -0.190999D+01  0.616445D+01  0.520635D+01 -0.542012D+01  0.475941D+01
      5   0.207538D+02 -0.128576D+02 -0.633761D+01  0.133753D+02 -0.599937D+01
      6  -0.570028D+01 -0.901748D+01 -0.111375D+02  0.126264D+02 -0.827721D+01
               176           177           178           179           180 
      1  -0.844484D+01  0.902967D+01  0.409047D+01  0.664135D+01 -0.117994D+02
      2   0.629650D+01  0.537993D-01  0.174259D+01  0.268641D+00 -0.625925D+01
      3   0.214833D+01 -0.908346D+01 -0.583306D+01 -0.690999D+01  0.180586D+02
      4   0.396130D+01 -0.376321D+01 -0.249950D+01 -0.277611D+01  0.313543D+01
      5  -0.570177D+01  0.638560D+01  0.921090D+01  0.448669D+01 -0.835564D+01
      6  -0.124988D+02  0.133720D+02  0.641575D+01  0.970025D+01 -0.140855D+02
               181           182           183           184           185 
      1  -0.301907D+01 -0.510579D+00 -0.119587D+02 -0.181634D+01 -0.301154D+01
      2  -0.517938D+01 -0.110937D+01 -0.512664D+01  0.204874D+00  0.102199D+01
      3   0.819845D+01  0.161995D+01  0.170854D+02  0.161146D+01  0.198955D+01
      4  -0.811404D+01 -0.552520D+00 -0.187004D+01 -0.814070D+00  0.271761D+00
      5   0.122155D+02  0.203690D+01  0.606569D+01  0.403994D+01  0.581124D+00
      6   0.172975D+01  0.371453D+01 -0.274163D+01  0.194337D+01 -0.908489D+00
               186           187           188           189           190 
      1  -0.324570D+01 -0.782936D+01 -0.111058D+01 -0.650417D+01 -0.883378D+00
      2  -0.336465D+01 -0.290590D+01 -0.114527D+01 -0.682625D+01  0.608321D+00
      3   0.661035D+01  0.107353D+02  0.225585D+01  0.133304D+02  0.275057D+00
      4  -0.575280D+00 -0.142758D+01  0.151198D+00 -0.337253D+01  0.229924D+01
      5  -0.955678D+00  0.832448D+01  0.703175D+00  0.519763D+01 -0.295007D+01
      6   0.280649D+01 -0.106597D+00  0.401759D+01  0.875503D+00 -0.287162D+01
               191           192           193           194           195 
      1   0.145106D+01 -0.114255D+01  0.523133D+00 -0.206082D+02  0.113139D+02
      2  -0.501985D-01  0.154842D+01  0.165323D+01  0.293859D+02 -0.572382D+01
      3  -0.140086D+01 -0.405865D+00 -0.217636D+01 -0.877764D+01 -0.559009D+01
      4   0.628978D+01 -0.218866D+01  0.852105D+01  0.174091D+02 -0.634391D+01
      5  -0.291375D+01  0.515082D+01 -0.482941D+01 -0.603852D+01  0.540993D+01
      6  -0.178988D+01  0.627998D+00 -0.421149D+01 -0.342374D+02  0.190387D+02
               196           197           198           199           200 
      1  -0.433636D+00  0.494467D+01 -0.441135D+01  0.139993D+02 -0.281297D+01
      2   0.125586D+01 -0.112797D+01  0.120211D+01 -0.193697D+02  0.347737D+01
      3  -0.822225D+00 -0.381670D+01  0.320923D+01  0.537044D+01 -0.664405D+00
      4  -0.745975D+00 -0.216606D+01  0.258762D+01 -0.956314D+00  0.491457D+01
      5   0.368784D+01  0.203787D+01 -0.271255D+01 -0.274502D+02  0.444989D+01
      6   0.857249D+00  0.104117D+02 -0.660797D+01  0.319638D+01 -0.606860D+01
               201           202           203           204           205 
      1  -0.300192D+01 -0.482170D+01 -0.100859D+00 -0.270991D+00 -0.277053D+01
      2   0.163274D+02  0.676740D+01 -0.101811D+01 -0.823309D+01  0.119792D+02
      3  -0.133255D+02 -0.194570D+01  0.111896D+01  0.850408D+01 -0.920869D+01
      4  -0.100451D-01  0.425034D+01 -0.256407D+01 -0.415184D+01 -0.429718D+00
      5   0.254862D+02  0.105537D+02 -0.636247D+01 -0.103391D+02  0.191868D+02
      6  -0.799826D+00 -0.524238D+01  0.214860D+01  0.614208D+01 -0.180166D+01
               206           207           208           209           210 
      1   0.536597D-01 -0.198138D+01  0.647120D+01 -0.255972D+01  0.524611D+01
      2  -0.389302D+01 -0.161517D+02 -0.680153D+01  0.139738D+01 -0.557616D+01
      3   0.383936D+01  0.181330D+02  0.330334D+00  0.116235D+01  0.330049D+00
      4  -0.281797D+01 -0.118442D+01 -0.139881D+01  0.100049D+01  0.952838D+00
      5  -0.404744D+01 -0.213146D+02  0.696269D+01 -0.580876D+00  0.124120D+02
      6   0.534428D+01  0.225399D+01  0.873397D+00  0.400537D+00  0.191434D+01
               211           212           213           214           215 
      1  -0.709407D+01 -0.123583D+01 -0.626616D+00  0.119158D+02  0.978196D+00
      2   0.455771D+01  0.142692D+01  0.193116D+01 -0.970590D+01  0.166714D+01
      3   0.253636D+01 -0.191093D+00 -0.130454D+01 -0.220987D+01 -0.264533D+01
      4   0.196067D+01  0.100697D+01  0.374350D+01  0.435446D+01  0.690550D+01
      5  -0.196467D+01  0.314802D+01 -0.453360D+01  0.190883D+02 -0.652642D+00
      6   0.589737D+00 -0.194445D+00  0.251668D+01  0.460065D+01  0.407180D+01
               216           217           218           219           220 
      1   0.324368D+01  0.595973D+02 -0.679905D+01 -0.148821D+02 -0.216537D+02
      2  -0.164322D+02 -0.321840D+02  0.494212D+01  0.837526D+01  0.124935D+02
      3   0.131885D+02 -0.274133D+02  0.185693D+01  0.650682D+01  0.916018D+01
      4   0.217388D+00 -0.645617D+00  0.834942D+01  0.500063D+00  0.894188D+01
      5   0.364333D+02 -0.151414D+02  0.157332D+01  0.126503D+02  0.454288D+01
      6   0.104268D+02 -0.323363D+01  0.184963D+00  0.269313D+01  0.300117D-02
               221           222           223           224           225 
      1   0.532307D+01  0.398757D+01 -0.277696D+02  0.156017D+01  0.111384D+02
      2  -0.511175D+00 -0.282997D+01  0.154187D+02 -0.211993D+01 -0.923193D+01
      3  -0.481190D+01 -0.115760D+01  0.123509D+02  0.559761D+00 -0.190642D+01
      4  -0.277362D+01 -0.377205D+01 -0.108436D+01 -0.644470D+01 -0.168014D+01
      5  -0.356248D+01 -0.613939D+01  0.157743D+02 -0.239194D+01 -0.105033D+02
      6   0.429187D+00  0.359994D+00  0.243958D+01  0.667290D+00 -0.114717D+01
               226           227           228           229           230 
      1   0.429113D+01  0.449803D+01 -0.234044D+01  0.648405D+01 -0.120592D+02
      2   0.655509D+00 -0.125790D+01  0.122518D+01  0.513712D+01  0.371432D+02
      3  -0.494664D+01 -0.324013D+01  0.111525D+01 -0.116212D+02 -0.250840D+02
      4   0.431616D+01  0.832901D+01 -0.488471D+00  0.209718D+02  0.463961D+02
      5  -0.202561D+01  0.324676D+00  0.173184D+01  0.118339D+01 -0.114215D+01
      6  -0.502157D+00  0.848278D-01 -0.261529D+00  0.115151D+01  0.334332D+01
               231           232           233           234 
      1   0.110454D+01 -0.459305D+01  0.690729D+00 -0.525394D+00
      2  -0.164269D+01  0.124742D+01 -0.266177D+01  0.154138D+01
      3   0.538141D+00  0.334563D+01  0.197104D+01 -0.101599D+01
      4  -0.105580D+01 -0.243513D+01 -0.408255D+01  0.398304D+01
      5   0.624872D+01  0.401427D+01  0.434478D+01  0.700822D+00
      6   0.668997D+01  0.199260D+01  0.569811D+01 -0.702722D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114256D+03      0.169311D+02      0.188383D+02
   aniso      0.158925D+02      0.235503D+01      0.262032D+01
   xx         0.119927D+03      0.177713D+02      0.197732D+02
   yx        -0.284719D+00     -0.421911D-01     -0.469439D-01
   yy         0.117534D+03      0.174167D+02      0.193787D+02
   zx         0.456081D+00      0.675843D-01      0.751976D-01
   zy         0.473561D+01      0.701745D+00      0.780797D+00
   zz         0.105309D+03      0.156052D+02      0.173631D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114256D+03      0.169311D+02      0.188383D+02
   aniso      0.158925D+02      0.235503D+01      0.262032D+01
   xx         0.115975D+03      0.171857D+02      0.191217D+02
   yx         0.670727D+01      0.993915D+00      0.110588D+01
   yy         0.107937D+03      0.159946D+02      0.177964D+02
   zx        -0.161432D+01     -0.239218D+00     -0.266166D+00
   zy         0.213747D+01      0.316741D+00      0.352422D+00
   zz         0.118857D+03      0.176129D+02      0.195969D+02

 ----------------------------------------------------------------------
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 @


 I DO NOT DEFINE TIME, SPACE, PLACE, AND MOTION, AS BEING WELL KNOWN TO ALL.
                                            -- NEWTON (1642-1726), PRINCIPIA
 Job cpu time:       0 days  6 hours 39 minutes 28.6 seconds.
 Elapsed time:       0 days  0 hours 25 minutes  1.5 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:07:15 2021.
